USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 HIS : no HD1:sc= -21.8! C(o=-44!,f=-51!) USER MOD Set 1.2: B 4 HIS : no HE2:sc= -21.9! C(o=-44!,f=-51!) USER MOD Single : A 1 HIS :FLIP no HE2:sc= -7.48! C(o=-8.2!,f=-7.5!) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -13.7! C(o=-14!,f=-17!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.408 F(o=-1.4,f=-0.41) USER MOD Single : A 18 TYR OH : rot -48:sc= -9.35! USER MOD Single : A 19 THR OG1 : rot 176:sc= -1.22! USER MOD Single : A 25 GLN :FLIP amide:sc= -0.387 F(o=-1.3,f=-0.39) USER MOD Single : A 26 GLN : amide:sc=-0.00803 X(o=-0.008,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 83:sc= -1.65 USER MOD Single : B 1 HIS :FLIP no HE2:sc= -7.76! C(o=-8.8!,f=-7.8!) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 6 GLN : amide:sc= -17.9! C(o=-18!,f=-20!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -0.471 F(o=-1.5,f=-0.47) USER MOD Single : B 18 TYR OH : rot -49:sc= -9.31! USER MOD Single : B 19 THR OG1 : rot 172:sc= -1.01! USER MOD Single : B 25 GLN :FLIP amide:sc= -0.395 F(o=-1.2,f=-0.39) USER MOD Single : B 26 GLN : amide:sc=-0.00201 X(o=-0.002,f=-0.16) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 82:sc= -1.91 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -5.638 9.327 4.186 1.00 10.00 N ATOM 2 CA HIS A 1 -6.597 8.375 4.818 1.00 10.00 C ATOM 3 C HIS A 1 -5.852 7.145 5.342 1.00 10.00 C ATOM 4 O HIS A 1 -6.025 6.739 6.475 1.00 10.00 O ATOM 5 CB HIS A 1 -7.558 7.981 3.695 1.00 10.00 C ATOM 6 CG HIS A 1 -8.450 6.864 4.168 1.00 10.00 C ATOM 7 ND1 HIS A 1 -8.654 6.316 5.410 1.00 10.00 N flip ATOM 8 CD2 HIS A 1 -9.278 6.165 3.304 1.00 10.00 C flip ATOM 9 CE1 HIS A 1 -9.593 5.294 5.323 1.00 10.00 C flip ATOM 10 NE2 HIS A 1 -9.937 5.244 4.033 1.00 10.00 N flip ATOM 0 H1 HIS A 1 -6.155 10.158 3.834 1.00 10.00 H new ATOM 0 H2 HIS A 1 -4.934 9.629 4.890 1.00 10.00 H new ATOM 0 H3 HIS A 1 -5.155 8.858 3.393 1.00 10.00 H new ATOM 0 HA HIS A 1 -7.119 8.816 5.667 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -8.159 8.840 3.398 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -6.997 7.665 2.815 1.00 10.00 H new ATOM 0 HD1 HIS A 1 -8.187 6.613 6.267 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -9.377 6.329 2.241 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -9.964 4.674 6.126 1.00 10.00 H new ATOM 20 N MET A 2 -5.024 6.549 4.528 1.00 10.00 N ATOM 21 CA MET A 2 -4.269 5.346 4.983 1.00 10.00 C ATOM 22 C MET A 2 -2.771 5.537 4.725 1.00 10.00 C ATOM 23 O MET A 2 -2.222 5.001 3.784 1.00 10.00 O ATOM 24 CB MET A 2 -4.816 4.192 4.142 1.00 10.00 C ATOM 25 CG MET A 2 -6.340 4.293 4.063 1.00 10.00 C ATOM 26 SD MET A 2 -6.818 4.989 2.462 1.00 10.00 S ATOM 27 CE MET A 2 -7.560 3.489 1.773 1.00 10.00 C ATOM 0 H MET A 2 -4.838 6.842 3.569 1.00 10.00 H new ATOM 0 HA MET A 2 -4.388 5.162 6.051 1.00 10.00 H new ATOM 0 HB2 MET A 2 -4.387 4.223 3.141 1.00 10.00 H new ATOM 0 HB3 MET A 2 -4.527 3.238 4.583 1.00 10.00 H new ATOM 0 HG2 MET A 2 -6.787 3.307 4.191 1.00 10.00 H new ATOM 0 HG3 MET A 2 -6.716 4.921 4.871 1.00 10.00 H new ATOM 0 HE1 MET A 2 -7.929 3.694 0.768 1.00 10.00 H new ATOM 0 HE2 MET A 2 -6.810 2.699 1.730 1.00 10.00 H new ATOM 0 HE3 MET A 2 -8.388 3.169 2.405 1.00 10.00 H new ATOM 37 N GLY A 3 -2.109 6.297 5.555 1.00 10.00 N ATOM 38 CA GLY A 3 -0.649 6.521 5.357 1.00 10.00 C ATOM 39 C GLY A 3 0.026 5.201 4.982 1.00 10.00 C ATOM 40 O GLY A 3 -0.265 4.163 5.542 1.00 10.00 O ATOM 0 H GLY A 3 -2.516 6.772 6.361 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -0.487 7.260 4.572 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -0.205 6.922 6.268 1.00 10.00 H new ATOM 44 N HIS A 4 0.923 5.232 4.036 1.00 10.00 N ATOM 45 CA HIS A 4 1.614 3.977 3.625 1.00 10.00 C ATOM 46 C HIS A 4 3.027 4.294 3.125 1.00 10.00 C ATOM 47 O HIS A 4 3.970 3.581 3.399 1.00 10.00 O ATOM 48 CB HIS A 4 0.752 3.408 2.496 1.00 10.00 C ATOM 49 CG HIS A 4 1.590 2.516 1.625 1.00 10.00 C ATOM 50 ND1 HIS A 4 1.498 2.533 0.242 1.00 10.00 N ATOM 51 CD2 HIS A 4 2.549 1.582 1.926 1.00 10.00 C ATOM 52 CE1 HIS A 4 2.381 1.636 -0.234 1.00 10.00 C ATOM 53 NE2 HIS A 4 3.047 1.028 0.751 1.00 10.00 N ATOM 0 H HIS A 4 1.207 6.071 3.530 1.00 10.00 H new ATOM 0 HA HIS A 4 1.723 3.270 4.448 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -0.085 2.846 2.911 1.00 10.00 H new ATOM 0 HB3 HIS A 4 0.329 4.219 1.903 1.00 10.00 H new ATOM 0 HD2 HIS A 4 2.869 1.317 2.923 1.00 10.00 H new ATOM 0 HE1 HIS A 4 2.532 1.433 -1.284 1.00 10.00 H new ATOM 0 HE2 HIS A 4 3.767 0.311 0.661 1.00 10.00 H new ATOM 61 N ILE A 5 3.173 5.363 2.397 1.00 10.00 N ATOM 62 CA ILE A 5 4.518 5.743 1.877 1.00 10.00 C ATOM 63 C ILE A 5 4.884 7.148 2.366 1.00 10.00 C ATOM 64 O ILE A 5 4.265 7.678 3.267 1.00 10.00 O ATOM 65 CB ILE A 5 4.371 5.714 0.351 1.00 10.00 C ATOM 66 CG1 ILE A 5 3.688 4.410 -0.064 1.00 10.00 C ATOM 67 CG2 ILE A 5 5.749 5.792 -0.310 1.00 10.00 C ATOM 68 CD1 ILE A 5 4.638 3.235 0.182 1.00 10.00 C ATOM 0 H ILE A 5 2.416 5.995 2.137 1.00 10.00 H new ATOM 0 HA ILE A 5 5.308 5.073 2.218 1.00 10.00 H new ATOM 0 HB ILE A 5 3.772 6.567 0.033 1.00 10.00 H new ATOM 0 HG12 ILE A 5 2.768 4.272 0.504 1.00 10.00 H new ATOM 0 HG13 ILE A 5 3.410 4.452 -1.117 1.00 10.00 H new ATOM 0 HG21 ILE A 5 5.634 5.771 -1.394 1.00 10.00 H new ATOM 0 HG22 ILE A 5 6.242 6.718 -0.015 1.00 10.00 H new ATOM 0 HG23 ILE A 5 6.354 4.942 0.008 1.00 10.00 H new ATOM 0 HD11 ILE A 5 4.151 2.306 -0.114 1.00 10.00 H new ATOM 0 HD12 ILE A 5 5.546 3.372 -0.405 1.00 10.00 H new ATOM 0 HD13 ILE A 5 4.894 3.190 1.241 1.00 10.00 H new ATOM 80 N GLN A 6 5.882 7.755 1.786 1.00 10.00 N ATOM 81 CA GLN A 6 6.280 9.122 2.225 1.00 10.00 C ATOM 82 C GLN A 6 5.688 10.168 1.267 1.00 10.00 C ATOM 83 O GLN A 6 4.769 9.880 0.528 1.00 10.00 O ATOM 84 CB GLN A 6 7.809 9.104 2.175 1.00 10.00 C ATOM 85 CG GLN A 6 8.366 10.098 3.191 1.00 10.00 C ATOM 86 CD GLN A 6 9.115 11.217 2.464 1.00 10.00 C ATOM 87 OE1 GLN A 6 9.957 10.956 1.627 1.00 10.00 O ATOM 88 NE2 GLN A 6 8.841 12.460 2.748 1.00 10.00 N ATOM 0 H GLN A 6 6.439 7.363 1.027 1.00 10.00 H new ATOM 0 HA GLN A 6 5.917 9.382 3.219 1.00 10.00 H new ATOM 0 HB2 GLN A 6 8.178 8.102 2.392 1.00 10.00 H new ATOM 0 HB3 GLN A 6 8.153 9.361 1.173 1.00 10.00 H new ATOM 0 HG2 GLN A 6 7.555 10.518 3.786 1.00 10.00 H new ATOM 0 HG3 GLN A 6 9.037 9.588 3.882 1.00 10.00 H new ATOM 0 HE21 GLN A 6 8.134 12.679 3.450 1.00 10.00 H new ATOM 0 HE22 GLN A 6 9.333 13.213 2.268 1.00 10.00 H new ATOM 97 N ILE A 7 6.184 11.381 1.276 1.00 10.00 N ATOM 98 CA ILE A 7 5.603 12.414 0.362 1.00 10.00 C ATOM 99 C ILE A 7 6.592 12.859 -0.744 1.00 10.00 C ATOM 100 O ILE A 7 6.472 13.938 -1.287 1.00 10.00 O ATOM 101 CB ILE A 7 5.245 13.580 1.291 1.00 10.00 C ATOM 102 CG1 ILE A 7 3.865 13.336 1.909 1.00 10.00 C ATOM 103 CG2 ILE A 7 5.222 14.887 0.503 1.00 10.00 C ATOM 104 CD1 ILE A 7 2.879 12.915 0.818 1.00 10.00 C ATOM 0 H ILE A 7 6.953 11.698 1.866 1.00 10.00 H new ATOM 0 HA ILE A 7 4.743 12.026 -0.183 1.00 10.00 H new ATOM 0 HB ILE A 7 5.994 13.650 2.080 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.930 12.561 2.673 1.00 10.00 H new ATOM 0 HG13 ILE A 7 3.512 14.241 2.402 1.00 10.00 H new ATOM 0 HG21 ILE A 7 4.967 15.710 1.171 1.00 10.00 H new ATOM 0 HG22 ILE A 7 6.204 15.066 0.066 1.00 10.00 H new ATOM 0 HG23 ILE A 7 4.478 14.820 -0.291 1.00 10.00 H new ATOM 0 HD11 ILE A 7 1.898 12.742 1.261 1.00 10.00 H new ATOM 0 HD12 ILE A 7 2.805 13.704 0.070 1.00 10.00 H new ATOM 0 HD13 ILE A 7 3.230 11.998 0.345 1.00 10.00 H new ATOM 116 N PRO A 8 7.519 12.002 -1.055 1.00 10.00 N ATOM 117 CA PRO A 8 8.517 12.289 -2.112 1.00 10.00 C ATOM 118 C PRO A 8 7.923 12.002 -3.494 1.00 10.00 C ATOM 119 O PRO A 8 7.373 10.941 -3.721 1.00 10.00 O ATOM 120 CB PRO A 8 9.640 11.315 -1.815 1.00 10.00 C ATOM 121 CG PRO A 8 8.987 10.185 -1.094 1.00 10.00 C ATOM 122 CD PRO A 8 7.726 10.705 -0.454 1.00 10.00 C ATOM 0 HA PRO A 8 8.843 13.329 -2.119 1.00 10.00 H new ATOM 0 HB2 PRO A 8 10.120 10.974 -2.732 1.00 10.00 H new ATOM 0 HB3 PRO A 8 10.414 11.779 -1.204 1.00 10.00 H new ATOM 0 HG2 PRO A 8 8.757 9.375 -1.786 1.00 10.00 H new ATOM 0 HG3 PRO A 8 9.658 9.778 -0.338 1.00 10.00 H new ATOM 0 HD2 PRO A 8 6.883 10.041 -0.644 1.00 10.00 H new ATOM 0 HD3 PRO A 8 7.834 10.782 0.628 1.00 10.00 H new ATOM 130 N PRO A 9 8.054 12.953 -4.373 1.00 10.00 N ATOM 131 CA PRO A 9 7.521 12.793 -5.744 1.00 10.00 C ATOM 132 C PRO A 9 8.453 11.914 -6.586 1.00 10.00 C ATOM 133 O PRO A 9 9.604 12.239 -6.799 1.00 10.00 O ATOM 134 CB PRO A 9 7.492 14.218 -6.283 1.00 10.00 C ATOM 135 CG PRO A 9 8.532 14.958 -5.498 1.00 10.00 C ATOM 136 CD PRO A 9 8.697 14.254 -4.173 1.00 10.00 C ATOM 0 HA PRO A 9 6.544 12.309 -5.768 1.00 10.00 H new ATOM 0 HB2 PRO A 9 7.715 14.240 -7.350 1.00 10.00 H new ATOM 0 HB3 PRO A 9 6.508 14.668 -6.154 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.477 14.978 -6.040 1.00 10.00 H new ATOM 0 HG3 PRO A 9 8.230 15.994 -5.345 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.749 14.142 -3.910 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.224 14.812 -3.364 1.00 10.00 H new ATOM 144 N GLY A 10 7.960 10.806 -7.072 1.00 10.00 N ATOM 145 CA GLY A 10 8.813 9.913 -7.905 1.00 10.00 C ATOM 146 C GLY A 10 9.318 8.740 -7.061 1.00 10.00 C ATOM 147 O GLY A 10 10.052 7.895 -7.537 1.00 10.00 O ATOM 0 H GLY A 10 7.004 10.482 -6.928 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.243 9.541 -8.756 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.657 10.473 -8.307 1.00 10.00 H new ATOM 151 N LEU A 11 8.937 8.677 -5.815 1.00 10.00 N ATOM 152 CA LEU A 11 9.407 7.550 -4.954 1.00 10.00 C ATOM 153 C LEU A 11 8.692 6.252 -5.337 1.00 10.00 C ATOM 154 O LEU A 11 9.311 5.216 -5.481 1.00 10.00 O ATOM 155 CB LEU A 11 9.047 7.957 -3.526 1.00 10.00 C ATOM 156 CG LEU A 11 9.888 7.147 -2.532 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.317 7.306 -1.121 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.860 5.668 -2.922 1.00 10.00 C ATOM 0 H LEU A 11 8.325 9.351 -5.356 1.00 10.00 H new ATOM 0 HA LEU A 11 10.476 7.369 -5.068 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.226 9.023 -3.385 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.986 7.785 -3.345 1.00 10.00 H new ATOM 0 HG LEU A 11 10.915 7.513 -2.553 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.918 6.729 -0.418 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.337 8.358 -0.837 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.289 6.945 -1.102 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.458 5.094 -2.215 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.832 5.307 -2.905 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.270 5.548 -3.925 1.00 10.00 H new ATOM 170 N THR A 12 7.398 6.300 -5.498 1.00 10.00 N ATOM 171 CA THR A 12 6.643 5.066 -5.868 1.00 10.00 C ATOM 172 C THR A 12 7.478 4.199 -6.809 1.00 10.00 C ATOM 173 O THR A 12 7.831 3.080 -6.494 1.00 10.00 O ATOM 174 CB THR A 12 5.383 5.569 -6.576 1.00 10.00 C ATOM 175 OG1 THR A 12 4.521 6.184 -5.627 1.00 10.00 O ATOM 176 CG2 THR A 12 4.664 4.394 -7.237 1.00 10.00 C ATOM 0 H THR A 12 6.829 7.140 -5.390 1.00 10.00 H new ATOM 0 HA THR A 12 6.404 4.452 -5.000 1.00 10.00 H new ATOM 0 HB THR A 12 5.660 6.297 -7.339 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.714 6.508 -6.080 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.767 4.753 -7.741 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.326 3.925 -7.965 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.386 3.664 -6.477 1.00 10.00 H new ATOM 184 N GLU A 13 7.798 4.713 -7.958 1.00 10.00 N ATOM 185 CA GLU A 13 8.614 3.930 -8.929 1.00 10.00 C ATOM 186 C GLU A 13 9.735 3.183 -8.200 1.00 10.00 C ATOM 187 O GLU A 13 9.928 1.998 -8.386 1.00 10.00 O ATOM 188 CB GLU A 13 9.197 4.973 -9.883 1.00 10.00 C ATOM 189 CG GLU A 13 10.381 4.369 -10.641 1.00 10.00 C ATOM 190 CD GLU A 13 10.382 4.883 -12.082 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.319 5.246 -12.560 1.00 10.00 O ATOM 192 OE2 GLU A 13 11.443 4.907 -12.680 1.00 10.00 O ATOM 0 H GLU A 13 7.530 5.646 -8.271 1.00 10.00 H new ATOM 0 HA GLU A 13 8.024 3.179 -9.454 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.433 5.305 -10.586 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.520 5.852 -9.324 1.00 10.00 H new ATOM 0 HG2 GLU A 13 11.316 4.636 -10.148 1.00 10.00 H new ATOM 0 HG3 GLU A 13 10.315 3.281 -10.632 1.00 10.00 H new ATOM 199 N LEU A 14 10.478 3.868 -7.372 1.00 10.00 N ATOM 200 CA LEU A 14 11.587 3.197 -6.635 1.00 10.00 C ATOM 201 C LEU A 14 11.054 2.002 -5.840 1.00 10.00 C ATOM 202 O LEU A 14 11.348 0.863 -6.142 1.00 10.00 O ATOM 203 CB LEU A 14 12.140 4.266 -5.692 1.00 10.00 C ATOM 204 CG LEU A 14 13.504 4.737 -6.198 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.364 5.268 -7.626 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.025 5.853 -5.290 1.00 10.00 C ATOM 0 H LEU A 14 10.365 4.862 -7.175 1.00 10.00 H new ATOM 0 HA LEU A 14 12.353 2.810 -7.308 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.450 5.108 -5.636 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.234 3.863 -4.684 1.00 10.00 H new ATOM 0 HG LEU A 14 14.203 3.901 -6.188 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.336 5.604 -7.986 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.991 4.475 -8.274 1.00 10.00 H new ATOM 0 HD13 LEU A 14 12.665 6.104 -7.636 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.997 6.190 -5.649 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.325 6.688 -5.301 1.00 10.00 H new ATOM 0 HD23 LEU A 14 14.125 5.477 -4.272 1.00 10.00 H new ATOM 218 N LEU A 15 10.273 2.252 -4.824 1.00 10.00 N ATOM 219 CA LEU A 15 9.728 1.127 -4.011 1.00 10.00 C ATOM 220 C LEU A 15 8.933 0.165 -4.897 1.00 10.00 C ATOM 221 O LEU A 15 9.239 -1.008 -4.978 1.00 10.00 O ATOM 222 CB LEU A 15 8.816 1.788 -2.976 1.00 10.00 C ATOM 223 CG LEU A 15 9.406 1.592 -1.579 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.593 2.539 -1.388 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.338 1.897 -0.527 1.00 10.00 C ATOM 0 H LEU A 15 9.989 3.184 -4.522 1.00 10.00 H new ATOM 0 HA LEU A 15 10.517 0.540 -3.540 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.712 2.851 -3.193 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.817 1.354 -3.025 1.00 10.00 H new ATOM 0 HG LEU A 15 9.742 0.561 -1.469 1.00 10.00 H new ATOM 0 HD11 LEU A 15 11.013 2.399 -0.392 1.00 10.00 H new ATOM 0 HD12 LEU A 15 11.355 2.323 -2.137 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.257 3.570 -1.499 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.758 1.757 0.469 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.002 2.928 -0.638 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.492 1.223 -0.662 1.00 10.00 H new ATOM 237 N GLN A 16 7.917 0.646 -5.562 1.00 10.00 N ATOM 238 CA GLN A 16 7.114 -0.253 -6.440 1.00 10.00 C ATOM 239 C GLN A 16 8.043 -1.209 -7.192 1.00 10.00 C ATOM 240 O GLN A 16 7.785 -2.393 -7.289 1.00 10.00 O ATOM 241 CB GLN A 16 6.393 0.678 -7.415 1.00 10.00 C ATOM 242 CG GLN A 16 4.933 0.242 -7.553 1.00 10.00 C ATOM 243 CD GLN A 16 4.158 1.294 -8.349 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.169 1.926 -7.780 1.00 10.00 O flip ATOM 245 NE2 GLN A 16 4.456 1.543 -9.501 1.00 10.00 N flip ATOM 0 H GLN A 16 7.609 1.618 -5.536 1.00 10.00 H new ATOM 0 HA GLN A 16 6.411 -0.866 -5.876 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.444 1.706 -7.057 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.884 0.654 -8.388 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.877 -0.724 -8.056 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.486 0.115 -6.567 1.00 10.00 H new ATOM 0 HE21 GLN A 16 5.229 1.049 -9.946 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.933 2.246 -10.023 1.00 10.00 H new ATOM 254 N GLY A 17 9.129 -0.708 -7.713 1.00 10.00 N ATOM 255 CA GLY A 17 10.077 -1.596 -8.443 1.00 10.00 C ATOM 256 C GLY A 17 10.426 -2.786 -7.548 1.00 10.00 C ATOM 257 O GLY A 17 10.164 -3.924 -7.883 1.00 10.00 O ATOM 0 H GLY A 17 9.400 0.274 -7.665 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.629 -1.943 -9.374 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.980 -1.046 -8.709 1.00 10.00 H new ATOM 261 N TYR A 18 11.007 -2.527 -6.407 1.00 10.00 N ATOM 262 CA TYR A 18 11.365 -3.636 -5.479 1.00 10.00 C ATOM 263 C TYR A 18 10.263 -4.699 -5.478 1.00 10.00 C ATOM 264 O TYR A 18 10.503 -5.861 -5.740 1.00 10.00 O ATOM 265 CB TYR A 18 11.467 -2.974 -4.106 1.00 10.00 C ATOM 266 CG TYR A 18 12.556 -3.647 -3.315 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.802 -3.874 -3.907 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.321 -4.050 -1.996 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.818 -4.507 -3.179 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.335 -4.681 -1.266 1.00 10.00 C ATOM 271 CZ TYR A 18 14.584 -4.910 -1.858 1.00 10.00 C ATOM 272 OH TYR A 18 15.581 -5.535 -1.138 1.00 10.00 O ATOM 0 H TYR A 18 11.249 -1.592 -6.078 1.00 10.00 H new ATOM 0 HA TYR A 18 12.290 -4.137 -5.765 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.684 -1.911 -4.216 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.516 -3.052 -3.579 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.981 -3.562 -4.925 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.357 -3.874 -1.541 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.781 -4.684 -3.636 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.155 -4.991 -0.247 1.00 10.00 H new ATOM 0 HH TYR A 18 15.980 -6.247 -1.681 1.00 10.00 H new ATOM 282 N THR A 19 9.056 -4.303 -5.182 1.00 10.00 N ATOM 283 CA THR A 19 7.929 -5.278 -5.160 1.00 10.00 C ATOM 284 C THR A 19 7.946 -6.140 -6.425 1.00 10.00 C ATOM 285 O THR A 19 7.690 -7.328 -6.383 1.00 10.00 O ATOM 286 CB THR A 19 6.670 -4.408 -5.114 1.00 10.00 C ATOM 287 OG1 THR A 19 6.344 -4.124 -3.761 1.00 10.00 O ATOM 288 CG2 THR A 19 5.503 -5.138 -5.779 1.00 10.00 C ATOM 0 H THR A 19 8.801 -3.342 -4.953 1.00 10.00 H new ATOM 0 HA THR A 19 7.986 -5.965 -4.315 1.00 10.00 H new ATOM 0 HB THR A 19 6.858 -3.478 -5.650 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.574 -3.518 -3.730 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.612 -4.511 -5.741 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.752 -5.352 -6.818 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.311 -6.073 -5.252 1.00 10.00 H new ATOM 296 N VAL A 20 8.235 -5.551 -7.552 1.00 10.00 N ATOM 297 CA VAL A 20 8.257 -6.336 -8.819 1.00 10.00 C ATOM 298 C VAL A 20 9.541 -7.164 -8.922 1.00 10.00 C ATOM 299 O VAL A 20 9.606 -8.129 -9.653 1.00 10.00 O ATOM 300 CB VAL A 20 8.203 -5.294 -9.934 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.260 -5.999 -11.292 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.899 -4.500 -9.828 1.00 10.00 C ATOM 0 H VAL A 20 8.457 -4.560 -7.651 1.00 10.00 H new ATOM 0 HA VAL A 20 7.427 -7.040 -8.874 1.00 10.00 H new ATOM 0 HB VAL A 20 9.051 -4.615 -9.839 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.222 -5.257 -12.089 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.188 -6.566 -11.369 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.411 -6.677 -11.386 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.860 -3.756 -10.624 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.051 -5.178 -9.924 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.856 -3.999 -8.861 1.00 10.00 H new ATOM 312 N GLU A 21 10.565 -6.801 -8.201 1.00 10.00 N ATOM 313 CA GLU A 21 11.834 -7.587 -8.281 1.00 10.00 C ATOM 314 C GLU A 21 11.850 -8.660 -7.195 1.00 10.00 C ATOM 315 O GLU A 21 12.072 -9.826 -7.456 1.00 10.00 O ATOM 316 CB GLU A 21 12.969 -6.586 -8.040 1.00 10.00 C ATOM 317 CG GLU A 21 12.467 -5.169 -8.291 1.00 10.00 C ATOM 318 CD GLU A 21 13.641 -4.272 -8.687 1.00 10.00 C ATOM 319 OE1 GLU A 21 13.973 -4.247 -9.860 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.188 -3.625 -7.808 1.00 10.00 O ATOM 0 H GLU A 21 10.582 -6.003 -7.565 1.00 10.00 H new ATOM 0 HA GLU A 21 11.936 -8.085 -9.245 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.335 -6.676 -7.017 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.808 -6.807 -8.700 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.716 -5.173 -9.081 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.984 -4.779 -7.395 1.00 10.00 H new ATOM 327 N VAL A 22 11.616 -8.266 -5.977 1.00 10.00 N ATOM 328 CA VAL A 22 11.616 -9.250 -4.860 1.00 10.00 C ATOM 329 C VAL A 22 10.551 -10.324 -5.106 1.00 10.00 C ATOM 330 O VAL A 22 10.676 -11.448 -4.664 1.00 10.00 O ATOM 331 CB VAL A 22 11.281 -8.429 -3.612 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.682 -9.213 -2.366 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.052 -7.106 -3.640 1.00 10.00 C ATOM 0 H VAL A 22 11.424 -7.302 -5.705 1.00 10.00 H new ATOM 0 HA VAL A 22 12.570 -9.768 -4.760 1.00 10.00 H new ATOM 0 HB VAL A 22 10.210 -8.227 -3.594 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.444 -8.629 -1.477 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.136 -10.156 -2.338 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.753 -9.414 -2.392 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.810 -6.525 -2.750 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.123 -7.309 -3.661 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.772 -6.541 -4.529 1.00 10.00 H new ATOM 343 N LEU A 23A 9.499 -9.982 -5.802 1.00 10.00 N ATOM 344 CA LEU A 23A 8.423 -10.980 -6.068 1.00 10.00 C ATOM 345 C LEU A 23A 8.728 -11.752 -7.354 1.00 10.00 C ATOM 346 O LEU A 23A 8.379 -12.908 -7.493 1.00 10.00 O ATOM 347 CB LEU A 23A 7.145 -10.152 -6.224 1.00 10.00 C ATOM 348 CG LEU A 23A 5.922 -11.076 -6.186 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.628 -11.485 -4.741 1.00 10.00 C ATOM 350 CD2 LEU A 23A 4.709 -10.339 -6.759 1.00 10.00 C ATOM 0 H LEU A 23A 9.339 -9.055 -6.197 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.333 -11.717 -5.270 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.079 -9.413 -5.425 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.169 -9.603 -7.165 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.126 -11.967 -6.780 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 4.758 -12.142 -4.718 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.490 -12.010 -4.329 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.426 -10.595 -4.145 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 3.839 -10.995 -6.733 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.510 -9.448 -6.164 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 4.913 -10.049 -7.790 1.00 10.00 H new ATOM 362 N ARG A 24 9.375 -11.123 -8.297 1.00 10.00 N ATOM 363 CA ARG A 24 9.701 -11.824 -9.572 1.00 10.00 C ATOM 364 C ARG A 24 11.131 -12.370 -9.530 1.00 10.00 C ATOM 365 O ARG A 24 11.824 -12.391 -10.528 1.00 10.00 O ATOM 366 CB ARG A 24 9.570 -10.751 -10.650 1.00 10.00 C ATOM 367 CG ARG A 24 8.463 -11.134 -11.629 1.00 10.00 C ATOM 368 CD ARG A 24 7.157 -10.454 -11.211 1.00 10.00 C ATOM 369 NE ARG A 24 6.083 -11.403 -11.611 1.00 10.00 N ATOM 370 CZ ARG A 24 5.064 -10.977 -12.307 1.00 10.00 C ATOM 371 NH1 ARG A 24 5.260 -10.334 -13.425 1.00 10.00 N ATOM 372 NH2 ARG A 24 3.848 -11.193 -11.884 1.00 10.00 N ATOM 0 H ARG A 24 9.692 -10.155 -8.240 1.00 10.00 H new ATOM 0 HA ARG A 24 9.045 -12.675 -9.756 1.00 10.00 H new ATOM 0 HB2 ARG A 24 9.346 -9.788 -10.192 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.515 -10.639 -11.181 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.736 -10.832 -12.640 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.334 -12.216 -11.644 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.137 -10.265 -10.138 1.00 10.00 H new ATOM 0 HD3 ARG A 24 7.037 -9.491 -11.707 1.00 10.00 H new ATOM 0 HE ARG A 24 6.143 -12.385 -11.342 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.210 -10.164 -13.756 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.463 -10.001 -13.968 1.00 10.00 H new ATOM 0 HH21 ARG A 24 3.694 -11.695 -11.009 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.052 -10.860 -12.428 1.00 10.00 H new ATOM 386 N GLN A 25 11.579 -12.815 -8.387 1.00 10.00 N ATOM 387 CA GLN A 25 12.965 -13.358 -8.295 1.00 10.00 C ATOM 388 C GLN A 25 13.225 -13.929 -6.897 1.00 10.00 C ATOM 389 O GLN A 25 13.937 -14.899 -6.734 1.00 10.00 O ATOM 390 CB GLN A 25 13.879 -12.162 -8.581 1.00 10.00 C ATOM 391 CG GLN A 25 14.372 -11.550 -7.265 1.00 10.00 C ATOM 392 CD GLN A 25 15.140 -10.260 -7.558 1.00 10.00 C ATOM 393 OE1 GLN A 25 14.557 -9.309 -8.234 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 16.280 -10.116 -7.167 1.00 10.00 N flip ATOM 0 H GLN A 25 11.048 -12.826 -7.516 1.00 10.00 H new ATOM 0 HA GLN A 25 13.137 -14.174 -8.997 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.729 -12.480 -9.184 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.340 -11.412 -9.160 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.527 -11.341 -6.609 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.015 -12.257 -6.741 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.736 -10.860 -6.638 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.782 -9.251 -7.367 1.00 10.00 H new ATOM 403 N GLN A 26 12.652 -13.331 -5.890 1.00 10.00 N ATOM 404 CA GLN A 26 12.866 -13.835 -4.502 1.00 10.00 C ATOM 405 C GLN A 26 14.331 -14.235 -4.304 1.00 10.00 C ATOM 406 O GLN A 26 14.672 -15.400 -4.370 1.00 10.00 O ATOM 407 CB GLN A 26 11.956 -15.057 -4.377 1.00 10.00 C ATOM 408 CG GLN A 26 10.931 -14.817 -3.268 1.00 10.00 C ATOM 409 CD GLN A 26 11.503 -15.297 -1.932 1.00 10.00 C ATOM 410 OE1 GLN A 26 11.871 -16.447 -1.794 1.00 10.00 O ATOM 411 NE2 GLN A 26 11.595 -14.459 -0.936 1.00 10.00 N ATOM 0 H GLN A 26 12.045 -12.515 -5.967 1.00 10.00 H new ATOM 0 HA GLN A 26 12.638 -13.079 -3.750 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.447 -15.243 -5.323 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.549 -15.944 -4.153 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.684 -13.757 -3.210 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.006 -15.348 -3.492 1.00 10.00 H new ATOM 0 HE21 GLN A 26 11.286 -13.494 -1.051 1.00 10.00 H new ATOM 0 HE22 GLN A 26 11.976 -14.769 -0.042 1.00 10.00 H new ATOM 420 N PRO A 27 15.150 -13.247 -4.073 1.00 10.00 N ATOM 421 CA PRO A 27 16.598 -13.486 -3.867 1.00 10.00 C ATOM 422 C PRO A 27 16.846 -14.179 -2.525 1.00 10.00 C ATOM 423 O PRO A 27 15.950 -14.307 -1.716 1.00 10.00 O ATOM 424 CB PRO A 27 17.197 -12.081 -3.873 1.00 10.00 C ATOM 425 CG PRO A 27 16.071 -11.185 -3.473 1.00 10.00 C ATOM 426 CD PRO A 27 14.809 -11.826 -3.982 1.00 10.00 C ATOM 0 HA PRO A 27 17.035 -14.135 -4.625 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.031 -12.004 -3.176 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.580 -11.819 -4.859 1.00 10.00 H new ATOM 0 HG2 PRO A 27 16.036 -11.067 -2.390 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.198 -10.189 -3.898 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.973 -11.658 -3.303 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.518 -11.422 -4.952 1.00 10.00 H new ATOM 434 N PRO A 28 18.067 -14.602 -2.336 1.00 10.00 N ATOM 435 CA PRO A 28 18.453 -15.289 -1.081 1.00 10.00 C ATOM 436 C PRO A 28 18.456 -14.302 0.091 1.00 10.00 C ATOM 437 O PRO A 28 18.303 -14.681 1.235 1.00 10.00 O ATOM 438 CB PRO A 28 19.864 -15.798 -1.369 1.00 10.00 C ATOM 439 CG PRO A 28 20.382 -14.893 -2.438 1.00 10.00 C ATOM 440 CD PRO A 28 19.193 -14.482 -3.264 1.00 10.00 C ATOM 0 HA PRO A 28 17.766 -16.088 -0.802 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.490 -15.757 -0.477 1.00 10.00 H new ATOM 0 HB3 PRO A 28 19.851 -16.836 -1.701 1.00 10.00 H new ATOM 0 HG2 PRO A 28 20.873 -14.022 -2.004 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.123 -15.403 -3.053 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.298 -13.463 -3.637 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.066 -15.128 -4.133 1.00 10.00 H new ATOM 448 N ASP A 29 18.630 -13.038 -0.186 1.00 10.00 N ATOM 449 CA ASP A 29 18.643 -12.028 0.911 1.00 10.00 C ATOM 450 C ASP A 29 17.946 -10.742 0.458 1.00 10.00 C ATOM 451 O ASP A 29 18.207 -10.226 -0.611 1.00 10.00 O ATOM 452 CB ASP A 29 20.123 -11.765 1.192 1.00 10.00 C ATOM 453 CG ASP A 29 20.824 -13.085 1.514 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.358 -13.781 2.402 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.816 -13.381 0.868 1.00 10.00 O ATOM 0 H ASP A 29 18.764 -12.661 -1.124 1.00 10.00 H new ATOM 0 HA ASP A 29 18.116 -12.378 1.798 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.590 -11.295 0.327 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.228 -11.072 2.027 1.00 10.00 H new ATOM 460 N LEU A 30 17.059 -10.221 1.262 1.00 10.00 N ATOM 461 CA LEU A 30 16.344 -8.970 0.878 1.00 10.00 C ATOM 462 C LEU A 30 17.166 -7.744 1.282 1.00 10.00 C ATOM 463 O LEU A 30 17.669 -7.022 0.446 1.00 10.00 O ATOM 464 CB LEU A 30 15.031 -9.015 1.658 1.00 10.00 C ATOM 465 CG LEU A 30 13.857 -8.833 0.697 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.580 -8.581 1.497 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.131 -7.637 -0.218 1.00 10.00 C ATOM 0 H LEU A 30 16.798 -10.608 2.169 1.00 10.00 H new ATOM 0 HA LEU A 30 16.180 -8.900 -0.197 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.940 -9.966 2.183 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.019 -8.231 2.415 1.00 10.00 H new ATOM 0 HG LEU A 30 13.736 -9.733 0.094 1.00 10.00 H new ATOM 0 HD11 LEU A 30 11.742 -8.451 0.813 1.00 10.00 H new ATOM 0 HD12 LEU A 30 12.386 -9.432 2.151 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.700 -7.680 2.099 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.295 -7.505 -0.905 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.251 -6.737 0.385 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.043 -7.816 -0.787 1.00 10.00 H new ATOM 479 N VAL A 31 17.311 -7.508 2.559 1.00 10.00 N ATOM 480 CA VAL A 31 18.109 -6.332 3.017 1.00 10.00 C ATOM 481 C VAL A 31 19.263 -6.086 2.051 1.00 10.00 C ATOM 482 O VAL A 31 19.311 -5.092 1.355 1.00 10.00 O ATOM 483 CB VAL A 31 18.653 -6.736 4.383 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.276 -5.517 5.067 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.506 -7.272 5.242 1.00 10.00 C ATOM 0 H VAL A 31 16.912 -8.078 3.305 1.00 10.00 H new ATOM 0 HA VAL A 31 17.516 -5.419 3.062 1.00 10.00 H new ATOM 0 HB VAL A 31 19.412 -7.508 4.261 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.665 -5.807 6.043 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.089 -5.131 4.453 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.518 -4.744 5.193 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.889 -7.563 6.220 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.750 -6.497 5.364 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.061 -8.139 4.754 1.00 10.00 H new ATOM 495 N ASP A 32 20.187 -7.000 2.001 1.00 10.00 N ATOM 496 CA ASP A 32 21.338 -6.846 1.078 1.00 10.00 C ATOM 497 C ASP A 32 20.827 -6.523 -0.327 1.00 10.00 C ATOM 498 O ASP A 32 21.336 -5.645 -0.995 1.00 10.00 O ATOM 499 CB ASP A 32 22.031 -8.205 1.114 1.00 10.00 C ATOM 500 CG ASP A 32 23.545 -8.012 1.013 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.958 -7.008 0.456 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.265 -8.871 1.493 1.00 10.00 O ATOM 0 H ASP A 32 20.193 -7.851 2.563 1.00 10.00 H new ATOM 0 HA ASP A 32 22.014 -6.039 1.359 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.782 -8.727 2.038 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.678 -8.826 0.291 1.00 10.00 H new ATOM 507 N PHE A 33 19.810 -7.211 -0.774 1.00 10.00 N ATOM 508 CA PHE A 33 19.260 -6.918 -2.126 1.00 10.00 C ATOM 509 C PHE A 33 18.853 -5.446 -2.191 1.00 10.00 C ATOM 510 O PHE A 33 19.399 -4.669 -2.949 1.00 10.00 O ATOM 511 CB PHE A 33 18.034 -7.823 -2.269 1.00 10.00 C ATOM 512 CG PHE A 33 17.278 -7.464 -3.527 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.870 -6.646 -4.497 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.981 -7.953 -3.722 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.167 -6.319 -5.663 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.278 -7.627 -4.888 1.00 10.00 C ATOM 517 CZ PHE A 33 15.870 -6.810 -5.859 1.00 10.00 C ATOM 0 H PHE A 33 19.340 -7.959 -0.264 1.00 10.00 H new ATOM 0 HA PHE A 33 19.981 -7.099 -2.924 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.344 -8.867 -2.305 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.386 -7.713 -1.400 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.870 -6.267 -4.346 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.523 -8.582 -2.973 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.625 -5.688 -6.411 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.278 -8.006 -5.039 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.327 -6.559 -6.758 1.00 10.00 H new ATOM 527 N ALA A 34 17.904 -5.059 -1.386 1.00 10.00 N ATOM 528 CA ALA A 34 17.461 -3.639 -1.382 1.00 10.00 C ATOM 529 C ALA A 34 18.681 -2.714 -1.396 1.00 10.00 C ATOM 530 O ALA A 34 18.635 -1.617 -1.918 1.00 10.00 O ATOM 531 CB ALA A 34 16.680 -3.472 -0.077 1.00 10.00 C ATOM 0 H ALA A 34 17.415 -5.667 -0.729 1.00 10.00 H new ATOM 0 HA ALA A 34 16.856 -3.389 -2.253 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.318 -2.447 0.002 1.00 10.00 H new ATOM 0 HB2 ALA A 34 15.833 -4.158 -0.070 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.332 -3.692 0.768 1.00 10.00 H new ATOM 537 N VAL A 35 19.773 -3.151 -0.829 1.00 10.00 N ATOM 538 CA VAL A 35 20.991 -2.307 -0.810 1.00 10.00 C ATOM 539 C VAL A 35 21.723 -2.425 -2.148 1.00 10.00 C ATOM 540 O VAL A 35 22.025 -1.441 -2.791 1.00 10.00 O ATOM 541 CB VAL A 35 21.827 -2.888 0.329 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.303 -2.598 0.086 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.393 -2.253 1.649 1.00 10.00 C ATOM 0 H VAL A 35 19.869 -4.061 -0.378 1.00 10.00 H new ATOM 0 HA VAL A 35 20.781 -1.248 -0.664 1.00 10.00 H new ATOM 0 HB VAL A 35 21.677 -3.967 0.374 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.895 -3.014 0.901 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.613 -3.051 -0.856 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.459 -1.520 0.038 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.988 -2.665 2.464 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.543 -1.174 1.600 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.339 -2.465 1.826 1.00 10.00 H new ATOM 553 N GLU A 36 22.005 -3.626 -2.572 1.00 10.00 N ATOM 554 CA GLU A 36 22.715 -3.815 -3.869 1.00 10.00 C ATOM 555 C GLU A 36 21.981 -3.072 -4.989 1.00 10.00 C ATOM 556 O GLU A 36 22.587 -2.401 -5.800 1.00 10.00 O ATOM 557 CB GLU A 36 22.685 -5.322 -4.121 1.00 10.00 C ATOM 558 CG GLU A 36 23.262 -6.055 -2.909 1.00 10.00 C ATOM 559 CD GLU A 36 24.510 -6.835 -3.332 1.00 10.00 C ATOM 560 OE1 GLU A 36 24.399 -7.642 -4.240 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.552 -6.610 -2.741 1.00 10.00 O ATOM 0 H GLU A 36 21.774 -4.486 -2.075 1.00 10.00 H new ATOM 0 HA GLU A 36 23.732 -3.425 -3.842 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.662 -5.650 -4.304 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.262 -5.563 -5.014 1.00 10.00 H new ATOM 0 HG2 GLU A 36 23.514 -5.341 -2.125 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.518 -6.735 -2.494 1.00 10.00 H new ATOM 568 N TYR A 37 20.683 -3.191 -5.044 1.00 10.00 N ATOM 569 CA TYR A 37 19.915 -2.496 -6.117 1.00 10.00 C ATOM 570 C TYR A 37 20.028 -0.977 -5.962 1.00 10.00 C ATOM 571 O TYR A 37 20.662 -0.309 -6.755 1.00 10.00 O ATOM 572 CB TYR A 37 18.466 -2.946 -5.925 1.00 10.00 C ATOM 573 CG TYR A 37 17.583 -2.235 -6.922 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.563 -2.651 -8.260 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.786 -1.160 -6.511 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.744 -1.991 -9.186 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.968 -0.501 -7.437 1.00 10.00 C ATOM 578 CZ TYR A 37 15.946 -0.916 -8.774 1.00 10.00 C ATOM 579 OH TYR A 37 15.139 -0.266 -9.687 1.00 10.00 O ATOM 0 H TYR A 37 20.121 -3.739 -4.393 1.00 10.00 H new ATOM 0 HA TYR A 37 20.292 -2.739 -7.110 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.388 -4.025 -6.058 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.137 -2.726 -4.909 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.178 -3.480 -8.577 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.802 -0.839 -5.480 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.728 -2.311 -10.217 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.353 0.328 -7.119 1.00 10.00 H new ATOM 0 HH TYR A 37 14.651 0.455 -9.237 1.00 10.00 H new ATOM 589 N PHE A 38 19.412 -0.426 -4.953 1.00 10.00 N ATOM 590 CA PHE A 38 19.478 1.051 -4.757 1.00 10.00 C ATOM 591 C PHE A 38 20.935 1.527 -4.744 1.00 10.00 C ATOM 592 O PHE A 38 21.288 2.478 -5.413 1.00 10.00 O ATOM 593 CB PHE A 38 18.812 1.302 -3.406 1.00 10.00 C ATOM 594 CG PHE A 38 17.317 1.136 -3.542 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.634 1.778 -4.582 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.613 0.340 -2.630 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.247 1.626 -4.709 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.227 0.188 -2.758 1.00 10.00 C ATOM 599 CZ PHE A 38 14.544 0.830 -3.797 1.00 10.00 C ATOM 0 H PHE A 38 18.866 -0.933 -4.256 1.00 10.00 H new ATOM 0 HA PHE A 38 18.982 1.595 -5.561 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.200 0.605 -2.663 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.046 2.307 -3.054 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.177 2.391 -5.287 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.139 -0.157 -1.828 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.720 2.123 -5.510 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.684 -0.425 -2.054 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.475 0.711 -3.895 1.00 10.00 H new ATOM 609 N THR A 39 21.785 0.879 -3.993 1.00 10.00 N ATOM 610 CA THR A 39 23.214 1.310 -3.954 1.00 10.00 C ATOM 611 C THR A 39 23.760 1.436 -5.378 1.00 10.00 C ATOM 612 O THR A 39 24.371 2.425 -5.735 1.00 10.00 O ATOM 613 CB THR A 39 23.952 0.207 -3.194 1.00 10.00 C ATOM 614 OG1 THR A 39 23.526 0.198 -1.839 1.00 10.00 O ATOM 615 CG2 THR A 39 25.459 0.463 -3.254 1.00 10.00 C ATOM 0 H THR A 39 21.555 0.075 -3.408 1.00 10.00 H new ATOM 0 HA THR A 39 23.337 2.280 -3.473 1.00 10.00 H new ATOM 0 HB THR A 39 23.730 -0.758 -3.651 1.00 10.00 H new ATOM 0 HG1 THR A 39 22.695 -0.315 -1.761 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.984 -0.324 -2.712 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.786 0.468 -4.294 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.683 1.428 -2.799 1.00 10.00 H new ATOM 623 N ARG A 40 23.541 0.444 -6.196 1.00 10.00 N ATOM 624 CA ARG A 40 24.042 0.507 -7.600 1.00 10.00 C ATOM 625 C ARG A 40 23.334 1.632 -8.356 1.00 10.00 C ATOM 626 O ARG A 40 23.838 2.150 -9.333 1.00 10.00 O ATOM 627 CB ARG A 40 23.691 -0.851 -8.208 1.00 10.00 C ATOM 628 CG ARG A 40 24.835 -1.318 -9.110 1.00 10.00 C ATOM 629 CD ARG A 40 25.282 -2.719 -8.681 1.00 10.00 C ATOM 630 NE ARG A 40 26.768 -2.646 -8.626 1.00 10.00 N ATOM 631 CZ ARG A 40 27.397 -2.945 -7.522 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.894 -3.827 -6.702 1.00 10.00 N ATOM 633 NH2 ARG A 40 28.528 -2.359 -7.237 1.00 10.00 N ATOM 0 H ARG A 40 23.036 -0.409 -5.954 1.00 10.00 H new ATOM 0 HA ARG A 40 25.112 0.710 -7.651 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.516 -1.581 -7.418 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.768 -0.776 -8.783 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.510 -1.331 -10.150 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.671 -0.622 -9.045 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.863 -2.988 -7.711 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.949 -3.475 -9.392 1.00 10.00 H new ATOM 0 HE ARG A 40 27.295 -2.362 -9.452 1.00 10.00 H new ATOM 0 HH11 ARG A 40 26.009 -4.283 -6.924 1.00 10.00 H new ATOM 0 HH12 ARG A 40 27.386 -4.060 -5.839 1.00 10.00 H new ATOM 0 HH21 ARG A 40 28.920 -1.668 -7.877 1.00 10.00 H new ATOM 0 HH22 ARG A 40 29.020 -2.592 -6.374 1.00 10.00 H new ATOM 647 N LEU A 41 22.168 2.014 -7.912 1.00 10.00 N ATOM 648 CA LEU A 41 21.426 3.106 -8.606 1.00 10.00 C ATOM 649 C LEU A 41 22.091 4.455 -8.327 1.00 10.00 C ATOM 650 O LEU A 41 22.022 5.367 -9.126 1.00 10.00 O ATOM 651 CB LEU A 41 20.018 3.068 -8.011 1.00 10.00 C ATOM 652 CG LEU A 41 18.995 3.369 -9.108 1.00 10.00 C ATOM 653 CD1 LEU A 41 19.141 2.347 -10.237 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.583 3.283 -8.525 1.00 10.00 C ATOM 0 H LEU A 41 21.697 1.618 -7.099 1.00 10.00 H new ATOM 0 HA LEU A 41 21.414 2.976 -9.688 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.822 2.089 -7.574 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.931 3.799 -7.207 1.00 10.00 H new ATOM 0 HG LEU A 41 19.168 4.371 -9.500 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.412 2.562 -11.018 1.00 10.00 H new ATOM 0 HD12 LEU A 41 20.147 2.406 -10.653 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.968 1.345 -9.845 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.853 3.497 -9.306 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.412 2.280 -8.133 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.477 4.010 -7.720 1.00 10.00 H new ATOM 666 N ARG A 42 22.737 4.591 -7.201 1.00 10.00 N ATOM 667 CA ARG A 42 23.404 5.885 -6.880 1.00 10.00 C ATOM 668 C ARG A 42 24.577 6.123 -7.834 1.00 10.00 C ATOM 669 O ARG A 42 25.020 7.238 -8.025 1.00 10.00 O ATOM 670 CB ARG A 42 23.902 5.731 -5.443 1.00 10.00 C ATOM 671 CG ARG A 42 22.940 6.447 -4.493 1.00 10.00 C ATOM 672 CD ARG A 42 23.449 7.865 -4.211 1.00 10.00 C ATOM 673 NE ARG A 42 23.965 8.361 -5.520 1.00 10.00 N ATOM 674 CZ ARG A 42 25.071 9.054 -5.573 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.973 8.931 -4.637 1.00 10.00 N ATOM 676 NH2 ARG A 42 25.279 9.871 -6.570 1.00 10.00 N ATOM 0 H ARG A 42 22.832 3.864 -6.491 1.00 10.00 H new ATOM 0 HA ARG A 42 22.730 6.735 -6.986 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.971 4.675 -5.181 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.904 6.149 -5.347 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.944 6.489 -4.933 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.853 5.890 -3.560 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.649 8.503 -3.835 1.00 10.00 H new ATOM 0 HD3 ARG A 42 24.234 7.859 -3.455 1.00 10.00 H new ATOM 0 HE ARG A 42 23.452 8.158 -6.378 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.816 8.291 -3.859 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.835 9.475 -4.684 1.00 10.00 H new ATOM 0 HH21 ARG A 42 24.579 9.967 -7.305 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.142 10.413 -6.614 1.00 10.00 H new ATOM 690 N GLU A 43 25.084 5.081 -8.434 1.00 10.00 N ATOM 691 CA GLU A 43 26.229 5.244 -9.375 1.00 10.00 C ATOM 692 C GLU A 43 25.729 5.709 -10.746 1.00 10.00 C ATOM 693 O GLU A 43 26.490 6.183 -11.565 1.00 10.00 O ATOM 694 CB GLU A 43 26.856 3.853 -9.476 1.00 10.00 C ATOM 695 CG GLU A 43 28.266 3.883 -8.882 1.00 10.00 C ATOM 696 CD GLU A 43 28.549 2.559 -8.170 1.00 10.00 C ATOM 697 OE1 GLU A 43 27.944 1.567 -8.543 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.367 2.559 -7.264 1.00 10.00 O ATOM 0 H GLU A 43 24.755 4.123 -8.313 1.00 10.00 H new ATOM 0 HA GLU A 43 26.944 5.991 -9.030 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.242 3.126 -8.944 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.896 3.535 -10.518 1.00 10.00 H new ATOM 0 HG2 GLU A 43 29.001 4.048 -9.670 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.359 4.712 -8.181 1.00 10.00 H new ATOM 705 N ALA A 44 24.454 5.577 -11.003 1.00 10.00 N ATOM 706 CA ALA A 44 23.911 6.014 -12.323 1.00 10.00 C ATOM 707 C ALA A 44 24.531 7.338 -12.740 1.00 10.00 C ATOM 708 O ALA A 44 25.267 7.424 -13.703 1.00 10.00 O ATOM 709 CB ALA A 44 22.418 6.229 -12.102 1.00 10.00 C ATOM 0 H ALA A 44 23.767 5.187 -10.358 1.00 10.00 H new ATOM 0 HA ALA A 44 24.124 5.277 -13.097 1.00 10.00 H new ATOM 0 HB1 ALA A 44 21.955 6.552 -13.034 1.00 10.00 H new ATOM 0 HB2 ALA A 44 21.961 5.296 -11.774 1.00 10.00 H new ATOM 0 HB3 ALA A 44 22.269 6.993 -11.339 1.00 10.00 H new ATOM 715 N ARG A 45 24.208 8.377 -12.026 1.00 10.00 N ATOM 716 CA ARG A 45 24.739 9.717 -12.372 1.00 10.00 C ATOM 717 C ARG A 45 26.207 9.620 -12.800 1.00 10.00 C ATOM 718 O ARG A 45 26.863 8.621 -12.577 1.00 10.00 O ATOM 719 CB ARG A 45 24.604 10.543 -11.093 1.00 10.00 C ATOM 720 CG ARG A 45 23.134 10.605 -10.677 1.00 10.00 C ATOM 721 CD ARG A 45 22.637 12.050 -10.765 1.00 10.00 C ATOM 722 NE ARG A 45 22.545 12.510 -9.352 1.00 10.00 N ATOM 723 CZ ARG A 45 21.573 13.299 -8.986 1.00 10.00 C ATOM 724 NH1 ARG A 45 20.332 12.924 -9.145 1.00 10.00 N ATOM 725 NH2 ARG A 45 21.839 14.462 -8.460 1.00 10.00 N ATOM 0 H ARG A 45 23.594 8.353 -11.212 1.00 10.00 H new ATOM 0 HA ARG A 45 24.200 10.167 -13.206 1.00 10.00 H new ATOM 0 HB2 ARG A 45 25.200 10.098 -10.296 1.00 10.00 H new ATOM 0 HB3 ARG A 45 24.990 11.550 -11.255 1.00 10.00 H new ATOM 0 HG2 ARG A 45 22.535 9.964 -11.324 1.00 10.00 H new ATOM 0 HG3 ARG A 45 23.017 10.231 -9.660 1.00 10.00 H new ATOM 0 HD2 ARG A 45 23.326 12.670 -11.338 1.00 10.00 H new ATOM 0 HD3 ARG A 45 21.669 12.105 -11.262 1.00 10.00 H new ATOM 0 HE ARG A 45 23.242 12.208 -8.671 1.00 10.00 H new ATOM 0 HH11 ARG A 45 20.123 12.014 -9.555 1.00 10.00 H new ATOM 0 HH12 ARG A 45 19.572 13.541 -8.859 1.00 10.00 H new ATOM 0 HH21 ARG A 45 22.808 14.755 -8.334 1.00 10.00 H new ATOM 0 HH22 ARG A 45 21.078 15.078 -8.174 1.00 10.00 H new ATOM 739 N ARG A 46 26.724 10.651 -13.411 1.00 10.00 N ATOM 740 CA ARG A 46 28.149 10.623 -13.855 1.00 10.00 C ATOM 741 C ARG A 46 29.020 9.938 -12.798 1.00 10.00 C ATOM 742 O ARG A 46 29.862 9.142 -13.178 1.00 10.00 O ATOM 743 CB ARG A 46 28.545 12.093 -14.005 1.00 10.00 C ATOM 744 CG ARG A 46 30.052 12.197 -14.244 1.00 10.00 C ATOM 745 CD ARG A 46 30.637 13.292 -13.349 1.00 10.00 C ATOM 746 NE ARG A 46 31.923 12.732 -12.846 1.00 10.00 N ATOM 747 CZ ARG A 46 33.009 12.831 -13.565 1.00 10.00 C ATOM 748 NH1 ARG A 46 32.959 13.360 -14.758 1.00 10.00 N ATOM 749 NH2 ARG A 46 34.146 12.400 -13.092 1.00 10.00 N ATOM 750 OXT ARG A 46 28.829 10.221 -11.626 1.00 10.00 O ATOM 0 H ARG A 46 26.221 11.513 -13.623 1.00 10.00 H new ATOM 0 HA ARG A 46 28.281 10.067 -14.783 1.00 10.00 H new ATOM 0 HB2 ARG A 46 28.003 12.543 -14.837 1.00 10.00 H new ATOM 0 HB3 ARG A 46 28.270 12.648 -13.108 1.00 10.00 H new ATOM 0 HG2 ARG A 46 30.532 11.242 -14.029 1.00 10.00 H new ATOM 0 HG3 ARG A 46 30.250 12.424 -15.291 1.00 10.00 H new ATOM 0 HD2 ARG A 46 30.799 14.214 -13.908 1.00 10.00 H new ATOM 0 HD3 ARG A 46 29.963 13.532 -12.527 1.00 10.00 H new ATOM 0 HE ARG A 46 31.955 12.270 -11.937 1.00 10.00 H new ATOM 0 HH11 ARG A 46 32.071 13.697 -15.130 1.00 10.00 H new ATOM 0 HH12 ARG A 46 33.808 13.436 -15.318 1.00 10.00 H new ATOM 0 HH21 ARG A 46 34.187 11.986 -12.161 1.00 10.00 H new ATOM 0 HH22 ARG A 46 34.994 12.477 -13.653 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -5.716 -9.103 -4.260 1.00 10.00 N ATOM 766 CA HIS B 1 -6.673 -8.140 -4.877 1.00 10.00 C ATOM 767 C HIS B 1 -5.924 -6.908 -5.393 1.00 10.00 C ATOM 768 O HIS B 1 -6.102 -6.489 -6.520 1.00 10.00 O ATOM 769 CB HIS B 1 -7.629 -7.753 -3.748 1.00 10.00 C ATOM 770 CG HIS B 1 -8.510 -6.622 -4.202 1.00 10.00 C ATOM 771 ND1 HIS B 1 -8.711 -6.054 -5.436 1.00 10.00 N flip ATOM 772 CD2 HIS B 1 -9.327 -5.924 -3.327 1.00 10.00 C flip ATOM 773 CE1 HIS B 1 -9.637 -5.022 -5.331 1.00 10.00 C flip ATOM 774 NE2 HIS B 1 -9.976 -4.986 -4.040 1.00 10.00 N flip ATOM 0 H1 HIS B 1 -6.235 -9.935 -3.914 1.00 10.00 H new ATOM 0 H2 HIS B 1 -5.018 -9.402 -4.970 1.00 10.00 H new ATOM 0 H3 HIS B 1 -5.226 -8.645 -3.465 1.00 10.00 H new ATOM 0 HA HIS B 1 -7.201 -8.570 -5.728 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -8.238 -8.611 -3.463 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -7.064 -7.456 -2.865 1.00 10.00 H new ATOM 0 HD1 HIS B 1 -8.251 -6.345 -6.299 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -9.425 -6.101 -2.266 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -10.003 -4.386 -6.123 1.00 10.00 H new ATOM 784 N MET B 2 -5.088 -6.324 -4.578 1.00 10.00 N ATOM 785 CA MET B 2 -4.328 -5.120 -5.022 1.00 10.00 C ATOM 786 C MET B 2 -2.832 -5.319 -4.774 1.00 10.00 C ATOM 787 O MET B 2 -2.275 -4.799 -3.828 1.00 10.00 O ATOM 788 CB MET B 2 -4.864 -3.974 -4.164 1.00 10.00 C ATOM 789 CG MET B 2 -6.388 -4.071 -4.076 1.00 10.00 C ATOM 790 SD MET B 2 -6.860 -4.787 -2.482 1.00 10.00 S ATOM 791 CE MET B 2 -7.592 -3.292 -1.773 1.00 10.00 C ATOM 0 H MET B 2 -4.898 -6.629 -3.623 1.00 10.00 H new ATOM 0 HA MET B 2 -4.451 -4.924 -6.087 1.00 10.00 H new ATOM 0 HB2 MET B 2 -4.428 -4.018 -3.166 1.00 10.00 H new ATOM 0 HB3 MET B 2 -4.574 -3.016 -4.596 1.00 10.00 H new ATOM 0 HG2 MET B 2 -6.832 -3.082 -4.188 1.00 10.00 H new ATOM 0 HG3 MET B 2 -6.771 -4.686 -4.890 1.00 10.00 H new ATOM 0 HE1 MET B 2 -7.957 -3.507 -0.769 1.00 10.00 H new ATOM 0 HE2 MET B 2 -6.839 -2.506 -1.725 1.00 10.00 H new ATOM 0 HE3 MET B 2 -8.422 -2.962 -2.398 1.00 10.00 H new ATOM 801 N GLY B 3 -2.177 -6.071 -5.616 1.00 10.00 N ATOM 802 CA GLY B 3 -0.718 -6.304 -5.426 1.00 10.00 C ATOM 803 C GLY B 3 -0.035 -4.993 -5.038 1.00 10.00 C ATOM 804 O GLY B 3 -0.319 -3.946 -5.586 1.00 10.00 O ATOM 0 H GLY B 3 -2.589 -6.533 -6.426 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -0.557 -7.053 -4.650 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -0.280 -6.696 -6.344 1.00 10.00 H new ATOM 808 N HIS B 4 0.865 -5.040 -4.095 1.00 10.00 N ATOM 809 CA HIS B 4 1.565 -3.797 -3.670 1.00 10.00 C ATOM 810 C HIS B 4 2.974 -4.132 -3.172 1.00 10.00 C ATOM 811 O HIS B 4 3.926 -3.428 -3.446 1.00 10.00 O ATOM 812 CB HIS B 4 0.707 -3.232 -2.536 1.00 10.00 C ATOM 813 CG HIS B 4 1.552 -2.353 -1.659 1.00 10.00 C ATOM 814 ND1 HIS B 4 1.458 -2.376 -0.277 1.00 10.00 N ATOM 815 CD2 HIS B 4 2.520 -1.427 -1.955 1.00 10.00 C ATOM 816 CE1 HIS B 4 2.349 -1.492 0.204 1.00 10.00 C ATOM 817 NE2 HIS B 4 3.023 -0.885 -0.777 1.00 10.00 N ATOM 0 H HIS B 4 1.146 -5.887 -3.600 1.00 10.00 H new ATOM 0 HA HIS B 4 1.681 -3.082 -4.485 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -0.126 -2.661 -2.946 1.00 10.00 H new ATOM 0 HB3 HIS B 4 0.279 -4.045 -1.950 1.00 10.00 H new ATOM 0 HD1 HIS B 4 0.828 -2.958 0.275 1.00 10.00 H new ATOM 0 HD2 HIS B 4 2.842 -1.160 -2.951 1.00 10.00 H new ATOM 0 HE1 HIS B 4 2.501 -1.296 1.255 1.00 10.00 H new ATOM 825 N ILE B 5 3.107 -5.204 -2.445 1.00 10.00 N ATOM 826 CA ILE B 5 4.447 -5.599 -1.927 1.00 10.00 C ATOM 827 C ILE B 5 4.804 -7.002 -2.431 1.00 10.00 C ATOM 828 O ILE B 5 4.186 -7.517 -3.341 1.00 10.00 O ATOM 829 CB ILE B 5 4.300 -5.583 -0.401 1.00 10.00 C ATOM 830 CG1 ILE B 5 3.631 -4.276 0.024 1.00 10.00 C ATOM 831 CG2 ILE B 5 5.677 -5.679 0.259 1.00 10.00 C ATOM 832 CD1 ILE B 5 4.593 -3.109 -0.215 1.00 10.00 C ATOM 0 H ILE B 5 2.342 -5.827 -2.185 1.00 10.00 H new ATOM 0 HA ILE B 5 5.242 -4.932 -2.260 1.00 10.00 H new ATOM 0 HB ILE B 5 3.693 -6.433 -0.090 1.00 10.00 H new ATOM 0 HG12 ILE B 5 2.712 -4.125 -0.542 1.00 10.00 H new ATOM 0 HG13 ILE B 5 3.353 -4.323 1.077 1.00 10.00 H new ATOM 0 HG21 ILE B 5 5.563 -5.667 1.343 1.00 10.00 H new ATOM 0 HG22 ILE B 5 6.162 -6.607 -0.044 1.00 10.00 H new ATOM 0 HG23 ILE B 5 6.289 -4.832 -0.051 1.00 10.00 H new ATOM 0 HD11 ILE B 5 4.116 -2.177 0.088 1.00 10.00 H new ATOM 0 HD12 ILE B 5 5.500 -3.260 0.370 1.00 10.00 H new ATOM 0 HD13 ILE B 5 4.848 -3.059 -1.274 1.00 10.00 H new ATOM 844 N GLN B 6 5.794 -7.621 -1.852 1.00 10.00 N ATOM 845 CA GLN B 6 6.189 -8.984 -2.303 1.00 10.00 C ATOM 846 C GLN B 6 5.596 -10.039 -1.354 1.00 10.00 C ATOM 847 O GLN B 6 4.684 -9.757 -0.604 1.00 10.00 O ATOM 848 CB GLN B 6 7.718 -8.965 -2.252 1.00 10.00 C ATOM 849 CG GLN B 6 8.279 -9.948 -3.276 1.00 10.00 C ATOM 850 CD GLN B 6 9.016 -11.080 -2.559 1.00 10.00 C ATOM 851 OE1 GLN B 6 9.836 -10.838 -1.697 1.00 10.00 O ATOM 852 NE2 GLN B 6 8.756 -12.318 -2.881 1.00 10.00 N ATOM 0 H GLN B 6 6.348 -7.241 -1.084 1.00 10.00 H new ATOM 0 HA GLN B 6 5.825 -9.237 -3.299 1.00 10.00 H new ATOM 0 HB2 GLN B 6 8.086 -7.960 -2.459 1.00 10.00 H new ATOM 0 HB3 GLN B 6 8.061 -9.231 -1.252 1.00 10.00 H new ATOM 0 HG2 GLN B 6 7.471 -10.355 -3.883 1.00 10.00 H new ATOM 0 HG3 GLN B 6 8.958 -9.432 -3.955 1.00 10.00 H new ATOM 0 HE21 GLN B 6 8.067 -12.523 -3.605 1.00 10.00 H new ATOM 0 HE22 GLN B 6 9.241 -13.081 -2.409 1.00 10.00 H new ATOM 861 N ILE B 7 6.086 -11.255 -1.385 1.00 10.00 N ATOM 862 CA ILE B 7 5.512 -12.303 -0.484 1.00 10.00 C ATOM 863 C ILE B 7 6.511 -12.767 0.602 1.00 10.00 C ATOM 864 O ILE B 7 6.395 -13.856 1.128 1.00 10.00 O ATOM 865 CB ILE B 7 5.150 -13.450 -1.433 1.00 10.00 C ATOM 866 CG1 ILE B 7 3.776 -13.186 -2.055 1.00 10.00 C ATOM 867 CG2 ILE B 7 5.115 -14.770 -0.666 1.00 10.00 C ATOM 868 CD1 ILE B 7 2.788 -12.769 -0.965 1.00 10.00 C ATOM 0 H ILE B 7 6.849 -11.564 -1.987 1.00 10.00 H new ATOM 0 HA ILE B 7 4.656 -11.927 0.077 1.00 10.00 H new ATOM 0 HB ILE B 7 5.902 -13.512 -2.220 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.852 -12.403 -2.809 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.417 -14.082 -2.561 1.00 10.00 H new ATOM 0 HG21 ILE B 7 4.857 -15.580 -1.348 1.00 10.00 H new ATOM 0 HG22 ILE B 7 6.094 -14.962 -0.228 1.00 10.00 H new ATOM 0 HG23 ILE B 7 4.369 -14.711 0.126 1.00 10.00 H new ATOM 0 HD11 ILE B 7 1.811 -12.582 -1.411 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.703 -13.566 -0.227 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.145 -11.861 -0.479 1.00 10.00 H new ATOM 880 N PRO B 8 7.442 -11.916 0.917 1.00 10.00 N ATOM 881 CA PRO B 8 8.449 -12.222 1.956 1.00 10.00 C ATOM 882 C PRO B 8 7.866 -11.949 3.346 1.00 10.00 C ATOM 883 O PRO B 8 7.333 -10.887 3.595 1.00 10.00 O ATOM 884 CB PRO B 8 9.572 -11.248 1.660 1.00 10.00 C ATOM 885 CG PRO B 8 8.914 -10.106 0.963 1.00 10.00 C ATOM 886 CD PRO B 8 7.642 -10.610 0.335 1.00 10.00 C ATOM 0 HA PRO B 8 8.774 -13.263 1.946 1.00 10.00 H new ATOM 0 HB2 PRO B 8 10.064 -10.921 2.576 1.00 10.00 H new ATOM 0 HB3 PRO B 8 10.337 -11.706 1.033 1.00 10.00 H new ATOM 0 HG2 PRO B 8 8.698 -9.303 1.668 1.00 10.00 H new ATOM 0 HG3 PRO B 8 9.576 -9.692 0.202 1.00 10.00 H new ATOM 0 HD2 PRO B 8 6.804 -9.947 0.550 1.00 10.00 H new ATOM 0 HD3 PRO B 8 7.731 -10.669 -0.750 1.00 10.00 H new ATOM 894 N PRO B 9 7.986 -12.919 4.207 1.00 10.00 N ATOM 895 CA PRO B 9 7.460 -12.776 5.584 1.00 10.00 C ATOM 896 C PRO B 9 8.399 -11.914 6.434 1.00 10.00 C ATOM 897 O PRO B 9 9.546 -12.250 6.644 1.00 10.00 O ATOM 898 CB PRO B 9 7.423 -14.209 6.101 1.00 10.00 C ATOM 899 CG PRO B 9 8.454 -14.944 5.300 1.00 10.00 C ATOM 900 CD PRO B 9 8.610 -14.225 3.982 1.00 10.00 C ATOM 0 HA PRO B 9 6.487 -12.287 5.621 1.00 10.00 H new ATOM 0 HB2 PRO B 9 7.650 -14.249 7.166 1.00 10.00 H new ATOM 0 HB3 PRO B 9 6.435 -14.649 5.969 1.00 10.00 H new ATOM 0 HG2 PRO B 9 9.404 -14.974 5.834 1.00 10.00 H new ATOM 0 HG3 PRO B 9 8.147 -15.977 5.138 1.00 10.00 H new ATOM 0 HD2 PRO B 9 9.660 -14.122 3.707 1.00 10.00 H new ATOM 0 HD3 PRO B 9 8.120 -14.766 3.173 1.00 10.00 H new ATOM 908 N GLY B 10 7.913 -10.809 6.932 1.00 10.00 N ATOM 909 CA GLY B 10 8.772 -9.930 7.774 1.00 10.00 C ATOM 910 C GLY B 10 9.281 -8.748 6.945 1.00 10.00 C ATOM 911 O GLY B 10 10.026 -7.918 7.428 1.00 10.00 O ATOM 0 H GLY B 10 6.959 -10.478 6.792 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.205 -9.567 8.631 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.614 -10.499 8.167 1.00 10.00 H new ATOM 915 N LEU B 11 8.890 -8.661 5.701 1.00 10.00 N ATOM 916 CA LEU B 11 9.363 -7.523 4.855 1.00 10.00 C ATOM 917 C LEU B 11 8.660 -6.227 5.264 1.00 10.00 C ATOM 918 O LEU B 11 9.287 -5.202 5.436 1.00 10.00 O ATOM 919 CB LEU B 11 8.991 -7.902 3.421 1.00 10.00 C ATOM 920 CG LEU B 11 9.826 -7.074 2.436 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.260 -7.227 1.022 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.782 -5.598 2.837 1.00 10.00 C ATOM 0 H LEU B 11 8.268 -9.322 5.236 1.00 10.00 H new ATOM 0 HA LEU B 11 10.434 -7.353 4.965 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.167 -8.965 3.258 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.929 -7.725 3.251 1.00 10.00 H new ATOM 0 HG LEU B 11 10.856 -7.429 2.457 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.856 -6.637 0.326 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.292 -8.276 0.729 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.228 -6.877 1.003 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.376 -5.012 2.135 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.750 -5.247 2.820 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.188 -5.482 3.842 1.00 10.00 H new ATOM 934 N THR B 12 7.362 -6.264 5.414 1.00 10.00 N ATOM 935 CA THR B 12 6.618 -5.031 5.807 1.00 10.00 C ATOM 936 C THR B 12 7.463 -4.182 6.758 1.00 10.00 C ATOM 937 O THR B 12 7.829 -3.065 6.453 1.00 10.00 O ATOM 938 CB THR B 12 5.356 -5.535 6.512 1.00 10.00 C ATOM 939 OG1 THR B 12 4.485 -6.126 5.557 1.00 10.00 O ATOM 940 CG2 THR B 12 4.648 -4.364 7.195 1.00 10.00 C ATOM 0 H THR B 12 6.785 -7.095 5.281 1.00 10.00 H new ATOM 0 HA THR B 12 6.381 -4.402 4.949 1.00 10.00 H new ATOM 0 HB THR B 12 5.631 -6.277 7.262 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.677 -6.451 6.008 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.750 -4.724 7.696 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.316 -3.912 7.928 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.373 -3.620 6.448 1.00 10.00 H new ATOM 948 N GLU B 13 7.776 -4.710 7.902 1.00 10.00 N ATOM 949 CA GLU B 13 8.601 -3.946 8.881 1.00 10.00 C ATOM 950 C GLU B 13 9.724 -3.193 8.157 1.00 10.00 C ATOM 951 O GLU B 13 9.919 -2.011 8.357 1.00 10.00 O ATOM 952 CB GLU B 13 9.184 -5.008 9.815 1.00 10.00 C ATOM 953 CG GLU B 13 10.379 -4.426 10.572 1.00 10.00 C ATOM 954 CD GLU B 13 10.379 -4.952 12.007 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.315 -5.302 12.489 1.00 10.00 O ATOM 956 OE2 GLU B 13 11.445 -4.997 12.601 1.00 10.00 O ATOM 0 H GLU B 13 7.497 -5.642 8.207 1.00 10.00 H new ATOM 0 HA GLU B 13 8.018 -3.200 9.421 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.423 -5.344 10.519 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.495 -5.881 9.241 1.00 10.00 H new ATOM 0 HG2 GLU B 13 11.308 -4.701 10.073 1.00 10.00 H new ATOM 0 HG3 GLU B 13 10.327 -3.337 10.573 1.00 10.00 H new ATOM 963 N LEU B 14 10.463 -3.871 7.322 1.00 10.00 N ATOM 964 CA LEU B 14 11.572 -3.194 6.589 1.00 10.00 C ATOM 965 C LEU B 14 11.040 -1.987 5.811 1.00 10.00 C ATOM 966 O LEU B 14 11.325 -0.852 6.137 1.00 10.00 O ATOM 967 CB LEU B 14 12.118 -4.253 5.630 1.00 10.00 C ATOM 968 CG LEU B 14 13.487 -4.729 6.120 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.354 -5.292 7.535 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.010 -5.822 5.185 1.00 10.00 C ATOM 0 H LEU B 14 10.348 -4.863 7.115 1.00 10.00 H new ATOM 0 HA LEU B 14 12.341 -2.819 7.264 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.428 -5.095 5.571 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.203 -3.839 4.625 1.00 10.00 H new ATOM 0 HG LEU B 14 14.183 -3.890 6.126 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.329 -5.631 7.885 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.979 -4.515 8.202 1.00 10.00 H new ATOM 0 HD13 LEU B 14 12.659 -6.131 7.529 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.985 -6.162 5.533 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.314 -6.661 5.180 1.00 10.00 H new ATOM 0 HD23 LEU B 14 14.104 -5.423 4.175 1.00 10.00 H new ATOM 982 N LEU B 15 10.273 -2.222 4.781 1.00 10.00 N ATOM 983 CA LEU B 15 9.730 -1.086 3.983 1.00 10.00 C ATOM 984 C LEU B 15 8.942 -0.131 4.884 1.00 10.00 C ATOM 985 O LEU B 15 9.252 1.040 4.978 1.00 10.00 O ATOM 986 CB LEU B 15 8.813 -1.731 2.945 1.00 10.00 C ATOM 987 CG LEU B 15 9.401 -1.527 1.547 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.575 -2.487 1.342 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.326 -1.806 0.495 1.00 10.00 C ATOM 0 H LEU B 15 9.999 -3.150 4.458 1.00 10.00 H new ATOM 0 HA LEU B 15 10.519 -0.497 3.516 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.703 -2.795 3.153 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.817 -1.291 3.000 1.00 10.00 H new ATOM 0 HG LEU B 15 9.750 -0.499 1.447 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.994 -2.342 0.346 1.00 10.00 H new ATOM 0 HD12 LEU B 15 11.342 -2.289 2.091 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.226 -3.515 1.443 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.745 -1.661 -0.501 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.977 -2.834 0.595 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.489 -1.123 0.640 1.00 10.00 H new ATOM 1001 N GLN B 16 7.927 -0.618 5.548 1.00 10.00 N ATOM 1002 CA GLN B 16 7.130 0.274 6.439 1.00 10.00 C ATOM 1003 C GLN B 16 8.062 1.218 7.199 1.00 10.00 C ATOM 1004 O GLN B 16 7.811 2.401 7.306 1.00 10.00 O ATOM 1005 CB GLN B 16 6.411 -0.666 7.407 1.00 10.00 C ATOM 1006 CG GLN B 16 4.953 -0.228 7.554 1.00 10.00 C ATOM 1007 CD GLN B 16 4.175 -1.293 8.329 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.169 -1.892 7.755 1.00 10.00 O flip ATOM 1009 NE2 GLN B 16 4.487 -1.583 9.467 1.00 10.00 N flip ATOM 0 H GLN B 16 7.617 -1.589 5.512 1.00 10.00 H new ATOM 0 HA GLN B 16 6.427 0.895 5.883 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.459 -1.691 7.039 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.906 -0.653 8.378 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.900 0.728 8.076 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.506 -0.079 6.571 1.00 10.00 H new ATOM 0 HE21 GLN B 16 5.274 -1.114 9.915 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.962 -2.295 9.974 1.00 10.00 H new ATOM 1018 N GLY B 17 9.146 0.706 7.718 1.00 10.00 N ATOM 1019 CA GLY B 17 10.095 1.584 8.458 1.00 10.00 C ATOM 1020 C GLY B 17 10.449 2.779 7.574 1.00 10.00 C ATOM 1021 O GLY B 17 10.200 3.915 7.924 1.00 10.00 O ATOM 0 H GLY B 17 9.413 -0.277 7.662 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.646 1.924 9.391 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.995 1.029 8.722 1.00 10.00 H new ATOM 1025 N TYR B 18 11.022 2.529 6.426 1.00 10.00 N ATOM 1026 CA TYR B 18 11.384 3.646 5.511 1.00 10.00 C ATOM 1027 C TYR B 18 10.289 4.715 5.525 1.00 10.00 C ATOM 1028 O TYR B 18 10.537 5.870 5.807 1.00 10.00 O ATOM 1029 CB TYR B 18 11.479 3.002 4.128 1.00 10.00 C ATOM 1030 CG TYR B 18 12.571 3.678 3.341 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.822 3.883 3.930 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.332 4.103 2.030 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.840 4.515 3.205 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.350 4.735 1.305 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.604 4.941 1.893 1.00 10.00 C ATOM 1036 OH TYR B 18 15.604 5.567 1.178 1.00 10.00 O ATOM 0 H TYR B 18 11.254 1.597 6.084 1.00 10.00 H new ATOM 0 HA TYR B 18 12.313 4.136 5.802 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.689 1.937 4.223 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.527 3.094 3.605 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.003 3.554 4.943 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.364 3.944 1.578 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.807 4.674 3.658 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.168 5.063 0.292 1.00 10.00 H new ATOM 0 HH TYR B 18 15.998 6.280 1.722 1.00 10.00 H new ATOM 1046 N THR B 19 9.080 4.333 5.221 1.00 10.00 N ATOM 1047 CA THR B 19 7.962 5.318 5.212 1.00 10.00 C ATOM 1048 C THR B 19 7.987 6.161 6.490 1.00 10.00 C ATOM 1049 O THR B 19 7.734 7.350 6.466 1.00 10.00 O ATOM 1050 CB THR B 19 6.693 4.461 5.150 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.345 4.235 3.791 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.542 5.175 5.861 1.00 10.00 C ATOM 0 H THR B 19 8.817 3.378 4.978 1.00 10.00 H new ATOM 0 HA THR B 19 8.026 6.016 4.378 1.00 10.00 H new ATOM 0 HB THR B 19 6.879 3.508 5.646 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.610 3.589 3.745 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.645 4.558 5.811 1.00 10.00 H new ATOM 0 HG22 THR B 19 5.808 5.345 6.904 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.352 6.132 5.375 1.00 10.00 H new ATOM 1060 N VAL B 20 8.284 5.555 7.606 1.00 10.00 N ATOM 1061 CA VAL B 20 8.316 6.321 8.884 1.00 10.00 C ATOM 1062 C VAL B 20 9.604 7.140 8.992 1.00 10.00 C ATOM 1063 O VAL B 20 9.676 8.099 9.729 1.00 10.00 O ATOM 1064 CB VAL B 20 8.262 5.262 9.984 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.338 5.944 11.350 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.951 4.480 9.877 1.00 10.00 C ATOM 0 H VAL B 20 8.506 4.563 7.689 1.00 10.00 H new ATOM 0 HA VAL B 20 7.490 7.028 8.955 1.00 10.00 H new ATOM 0 HB VAL B 20 9.103 4.578 9.871 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.300 5.190 12.136 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.272 6.501 11.427 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.497 6.628 11.462 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.913 3.725 10.662 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.109 5.163 9.990 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.896 3.994 8.903 1.00 10.00 H new ATOM 1076 N GLU B 21 10.625 6.776 8.267 1.00 10.00 N ATOM 1077 CA GLU B 21 11.899 7.554 8.350 1.00 10.00 C ATOM 1078 C GLU B 21 11.918 8.639 7.277 1.00 10.00 C ATOM 1079 O GLU B 21 12.158 9.799 7.549 1.00 10.00 O ATOM 1080 CB GLU B 21 13.027 6.549 8.096 1.00 10.00 C ATOM 1081 CG GLU B 21 12.519 5.132 8.332 1.00 10.00 C ATOM 1082 CD GLU B 21 13.688 4.223 8.716 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.041 4.209 9.884 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.208 3.558 7.836 1.00 10.00 O ATOM 0 H GLU B 21 10.636 5.983 7.626 1.00 10.00 H new ATOM 0 HA GLU B 21 12.007 8.042 9.319 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.392 6.649 7.074 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.868 6.758 8.757 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.770 5.131 9.124 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.033 4.755 7.432 1.00 10.00 H new ATOM 1091 N VAL B 22 11.666 8.264 6.057 1.00 10.00 N ATOM 1092 CA VAL B 22 11.669 9.260 4.953 1.00 10.00 C ATOM 1093 C VAL B 22 10.618 10.343 5.216 1.00 10.00 C ATOM 1094 O VAL B 22 10.770 11.480 4.819 1.00 10.00 O ATOM 1095 CB VAL B 22 11.315 8.457 3.699 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.699 9.255 2.457 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.082 7.132 3.700 1.00 10.00 C ATOM 0 H VAL B 22 11.457 7.306 5.775 1.00 10.00 H new ATOM 0 HA VAL B 22 12.628 9.769 4.854 1.00 10.00 H new ATOM 0 HB VAL B 22 10.243 8.258 3.693 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.447 8.683 1.564 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.155 10.199 2.449 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.771 9.454 2.469 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.827 6.563 2.806 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.153 7.332 3.710 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.812 6.556 4.585 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.549 9.995 5.880 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.486 11.003 6.164 1.00 10.00 C ATOM 1109 C LEU B 23B 8.795 11.745 7.467 1.00 10.00 C ATOM 1110 O LEU B 23B 8.449 12.899 7.631 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.194 10.190 6.294 1.00 10.00 C ATOM 1112 CG LEU B 23B 5.985 11.129 6.244 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.708 11.543 4.795 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 4.759 10.407 6.809 1.00 10.00 C ATOM 0 H LEU B 23B 9.365 9.058 6.238 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.412 11.759 5.383 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.131 9.458 5.489 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.196 9.634 7.231 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.195 12.018 6.838 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 4.847 12.211 4.766 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.580 12.057 4.390 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.500 10.656 4.197 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 3.897 11.073 6.775 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.554 9.517 6.214 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 4.952 10.116 7.842 1.00 10.00 H new ATOM 1126 N ARG B 24 9.443 11.096 8.398 1.00 10.00 N ATOM 1127 CA ARG B 24 9.770 11.773 9.686 1.00 10.00 C ATOM 1128 C ARG B 24 11.204 12.314 9.656 1.00 10.00 C ATOM 1129 O ARG B 24 11.896 12.315 10.654 1.00 10.00 O ATOM 1130 CB ARG B 24 9.634 10.684 10.747 1.00 10.00 C ATOM 1131 CG ARG B 24 8.546 11.070 11.748 1.00 10.00 C ATOM 1132 CD ARG B 24 7.228 10.407 11.343 1.00 10.00 C ATOM 1133 NE ARG B 24 6.167 11.357 11.775 1.00 10.00 N ATOM 1134 CZ ARG B 24 5.147 10.923 12.464 1.00 10.00 C ATOM 1135 NH1 ARG B 24 5.344 10.266 13.575 1.00 10.00 N ATOM 1136 NH2 ARG B 24 3.932 11.141 12.041 1.00 10.00 N ATOM 0 H ARG B 24 9.759 10.129 8.322 1.00 10.00 H new ATOM 0 HA ARG B 24 9.116 12.623 9.882 1.00 10.00 H new ATOM 0 HB2 ARG B 24 9.386 9.733 10.276 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.584 10.546 11.264 1.00 10.00 H new ATOM 0 HG2 ARG B 24 8.831 10.755 12.752 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.428 12.153 11.775 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.188 10.234 10.268 1.00 10.00 H new ATOM 0 HD3 ARG B 24 7.110 9.437 11.827 1.00 10.00 H new ATOM 0 HE ARG B 24 6.237 12.345 11.533 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.294 10.093 13.903 1.00 10.00 H new ATOM 0 HH12 ARG B 24 4.548 9.926 14.115 1.00 10.00 H new ATOM 0 HH21 ARG B 24 3.779 11.651 11.171 1.00 10.00 H new ATOM 0 HH22 ARG B 24 3.136 10.801 12.580 1.00 10.00 H new ATOM 1150 N GLN B 25 11.655 12.775 8.520 1.00 10.00 N ATOM 1151 CA GLN B 25 13.043 13.314 8.438 1.00 10.00 C ATOM 1152 C GLN B 25 13.307 13.901 7.048 1.00 10.00 C ATOM 1153 O GLN B 25 14.029 14.868 6.898 1.00 10.00 O ATOM 1154 CB GLN B 25 13.955 12.112 8.711 1.00 10.00 C ATOM 1155 CG GLN B 25 14.454 11.520 7.389 1.00 10.00 C ATOM 1156 CD GLN B 25 15.218 10.224 7.663 1.00 10.00 C ATOM 1157 OE1 GLN B 25 14.632 9.263 8.324 1.00 10.00 O flip ATOM 1158 NE2 GLN B 25 16.359 10.084 7.273 1.00 10.00 N flip ATOM 0 H GLN B 25 11.125 12.802 7.649 1.00 10.00 H new ATOM 0 HA GLN B 25 13.216 14.120 9.151 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.802 12.420 9.324 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.412 11.354 9.276 1.00 10.00 H new ATOM 0 HG2 GLN B 25 13.612 11.324 6.726 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.101 12.235 6.880 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.817 10.835 6.756 1.00 10.00 H new ATOM 0 HE22 GLN B 25 16.860 9.216 7.462 1.00 10.00 H new ATOM 1167 N GLN B 26 12.727 13.324 6.033 1.00 10.00 N ATOM 1168 CA GLN B 26 12.942 13.846 4.652 1.00 10.00 C ATOM 1169 C GLN B 26 14.409 14.237 4.457 1.00 10.00 C ATOM 1170 O GLN B 26 14.759 15.399 4.534 1.00 10.00 O ATOM 1171 CB GLN B 26 12.040 15.075 4.549 1.00 10.00 C ATOM 1172 CG GLN B 26 11.006 14.858 3.442 1.00 10.00 C ATOM 1173 CD GLN B 26 11.587 15.322 2.106 1.00 10.00 C ATOM 1174 OE1 GLN B 26 11.976 16.465 1.963 1.00 10.00 O ATOM 1175 NE2 GLN B 26 11.665 14.479 1.113 1.00 10.00 N ATOM 0 H GLN B 26 12.112 12.513 6.099 1.00 10.00 H new ATOM 0 HA GLN B 26 12.708 13.104 3.888 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.538 15.252 5.500 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.638 15.961 4.334 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.733 13.804 3.386 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.095 15.412 3.667 1.00 10.00 H new ATOM 0 HE21 GLN B 26 11.339 13.520 1.232 1.00 10.00 H new ATOM 0 HE22 GLN B 26 12.052 14.779 0.218 1.00 10.00 H new ATOM 1184 N PRO B 27 15.220 13.245 4.211 1.00 10.00 N ATOM 1185 CA PRO B 27 16.670 13.475 4.004 1.00 10.00 C ATOM 1186 C PRO B 27 16.918 14.184 2.670 1.00 10.00 C ATOM 1187 O PRO B 27 16.020 14.327 1.864 1.00 10.00 O ATOM 1188 CB PRO B 27 17.258 12.068 3.992 1.00 10.00 C ATOM 1189 CG PRO B 27 16.125 11.186 3.583 1.00 10.00 C ATOM 1190 CD PRO B 27 14.869 11.829 4.106 1.00 10.00 C ATOM 0 HA PRO B 27 17.115 14.111 4.769 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.091 11.993 3.292 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.641 11.791 4.974 1.00 10.00 H new ATOM 0 HG2 PRO B 27 16.085 11.084 2.499 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.247 10.184 3.993 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.029 11.674 3.429 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.580 11.416 5.072 1.00 10.00 H new ATOM 1198 N PRO B 28 18.141 14.601 2.482 1.00 10.00 N ATOM 1199 CA PRO B 28 18.526 15.302 1.235 1.00 10.00 C ATOM 1200 C PRO B 28 18.521 14.331 0.050 1.00 10.00 C ATOM 1201 O PRO B 28 18.371 14.727 -1.089 1.00 10.00 O ATOM 1202 CB PRO B 28 19.941 15.800 1.526 1.00 10.00 C ATOM 1203 CG PRO B 28 20.457 14.880 2.583 1.00 10.00 C ATOM 1204 CD PRO B 28 19.268 14.464 3.407 1.00 10.00 C ATOM 0 HA PRO B 28 17.842 16.108 0.968 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.564 15.766 0.633 1.00 10.00 H new ATOM 0 HB3 PRO B 28 19.934 16.834 1.870 1.00 10.00 H new ATOM 0 HG2 PRO B 28 20.943 14.012 2.138 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.202 15.380 3.202 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.369 13.440 3.767 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.146 15.100 4.284 1.00 10.00 H new ATOM 1212 N ASP B 29 18.683 13.063 0.311 1.00 10.00 N ATOM 1213 CA ASP B 29 18.688 12.068 -0.800 1.00 10.00 C ATOM 1214 C ASP B 29 17.985 10.780 -0.360 1.00 10.00 C ATOM 1215 O ASP B 29 18.249 10.247 0.698 1.00 10.00 O ATOM 1216 CB ASP B 29 20.166 11.801 -1.088 1.00 10.00 C ATOM 1217 CG ASP B 29 20.878 13.126 -1.367 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.425 13.848 -2.239 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.867 13.395 -0.704 1.00 10.00 O ATOM 0 H ASP B 29 18.812 12.673 1.244 1.00 10.00 H new ATOM 0 HA ASP B 29 18.161 12.432 -1.682 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.628 11.299 -0.238 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.266 11.135 -1.945 1.00 10.00 H new ATOM 1224 N LEU B 30 17.090 10.278 -1.167 1.00 10.00 N ATOM 1225 CA LEU B 30 16.369 9.025 -0.798 1.00 10.00 C ATOM 1226 C LEU B 30 17.183 7.801 -1.224 1.00 10.00 C ATOM 1227 O LEU B 30 17.682 7.062 -0.400 1.00 10.00 O ATOM 1228 CB LEU B 30 15.052 9.087 -1.573 1.00 10.00 C ATOM 1229 CG LEU B 30 13.879 8.897 -0.610 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.600 8.650 -1.413 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.154 7.693 0.294 1.00 10.00 C ATOM 0 H LEU B 30 16.827 10.681 -2.066 1.00 10.00 H new ATOM 0 HA LEU B 30 16.209 8.941 0.277 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.964 10.046 -2.084 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.034 8.314 -2.341 1.00 10.00 H new ATOM 0 HG LEU B 30 13.759 9.791 0.002 1.00 10.00 H new ATOM 0 HD11 LEU B 30 11.762 8.514 -0.730 1.00 10.00 H new ATOM 0 HD12 LEU B 30 12.406 9.505 -2.060 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.720 7.754 -2.022 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.319 7.556 0.981 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.272 6.798 -0.317 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.067 7.866 0.863 1.00 10.00 H new ATOM 1243 N VAL B 31 17.322 7.583 -2.504 1.00 10.00 N ATOM 1244 CA VAL B 31 18.111 6.408 -2.980 1.00 10.00 C ATOM 1245 C VAL B 31 19.269 6.144 -2.024 1.00 10.00 C ATOM 1246 O VAL B 31 19.314 5.142 -1.338 1.00 10.00 O ATOM 1247 CB VAL B 31 18.650 6.824 -4.346 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.248 5.605 -5.052 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.505 7.389 -5.189 1.00 10.00 C ATOM 0 H VAL B 31 16.924 8.166 -3.240 1.00 10.00 H new ATOM 0 HA VAL B 31 17.512 5.499 -3.032 1.00 10.00 H new ATOM 0 HB VAL B 31 19.421 7.584 -4.219 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.633 5.902 -6.028 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.060 5.198 -4.450 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.477 4.845 -5.182 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.885 7.688 -6.166 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.736 6.627 -5.316 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.076 8.256 -4.686 1.00 10.00 H new ATOM 1259 N ASP B 32 20.200 7.050 -1.968 1.00 10.00 N ATOM 1260 CA ASP B 32 21.355 6.877 -1.054 1.00 10.00 C ATOM 1261 C ASP B 32 20.851 6.541 0.350 1.00 10.00 C ATOM 1262 O ASP B 32 21.360 5.656 1.008 1.00 10.00 O ATOM 1263 CB ASP B 32 22.058 8.232 -1.078 1.00 10.00 C ATOM 1264 CG ASP B 32 23.570 8.026 -0.979 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.977 7.056 -0.362 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.296 8.844 -1.522 1.00 10.00 O ATOM 0 H ASP B 32 20.210 7.908 -2.520 1.00 10.00 H new ATOM 0 HA ASP B 32 22.023 6.068 -1.349 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.813 8.764 -1.997 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.710 8.849 -0.250 1.00 10.00 H new ATOM 1271 N PHE B 33 19.838 7.227 0.809 1.00 10.00 N ATOM 1272 CA PHE B 33 19.294 6.922 2.161 1.00 10.00 C ATOM 1273 C PHE B 33 18.880 5.454 2.210 1.00 10.00 C ATOM 1274 O PHE B 33 19.424 4.665 2.957 1.00 10.00 O ATOM 1275 CB PHE B 33 18.075 7.833 2.321 1.00 10.00 C ATOM 1276 CG PHE B 33 17.321 7.460 3.578 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.915 6.630 4.536 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.027 7.950 3.783 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.214 6.292 5.700 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.326 7.612 4.946 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.919 6.783 5.905 1.00 10.00 C ATOM 0 H PHE B 33 19.367 7.981 0.308 1.00 10.00 H new ATOM 0 HA PHE B 33 20.019 7.089 2.957 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.392 8.875 2.371 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.423 7.739 1.453 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.914 6.250 4.377 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.569 8.590 3.043 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.672 5.652 6.440 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.327 7.991 5.104 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.378 6.522 6.803 1.00 10.00 H new ATOM 1291 N ALA B 34 17.925 5.082 1.405 1.00 10.00 N ATOM 1292 CA ALA B 34 17.474 3.664 1.384 1.00 10.00 C ATOM 1293 C ALA B 34 18.689 2.734 1.384 1.00 10.00 C ATOM 1294 O ALA B 34 18.641 1.633 1.898 1.00 10.00 O ATOM 1295 CB ALA B 34 16.689 3.517 0.079 1.00 10.00 C ATOM 0 H ALA B 34 17.436 5.701 0.759 1.00 10.00 H new ATOM 0 HA ALA B 34 16.869 3.406 2.253 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.321 2.495 -0.011 1.00 10.00 H new ATOM 0 HB2 ALA B 34 15.845 4.207 0.082 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.340 3.744 -0.765 1.00 10.00 H new ATOM 1301 N VAL B 35 19.781 3.169 0.815 1.00 10.00 N ATOM 1302 CA VAL B 35 20.994 2.318 0.785 1.00 10.00 C ATOM 1303 C VAL B 35 21.731 2.418 2.122 1.00 10.00 C ATOM 1304 O VAL B 35 22.030 1.425 2.753 1.00 10.00 O ATOM 1305 CB VAL B 35 21.831 2.903 -0.353 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.305 2.596 -0.121 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.384 2.288 -1.678 1.00 10.00 C ATOM 0 H VAL B 35 19.881 4.081 0.369 1.00 10.00 H new ATOM 0 HA VAL B 35 20.776 1.261 0.630 1.00 10.00 H new ATOM 0 HB VAL B 35 21.691 3.984 -0.385 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.896 3.015 -0.935 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.624 3.036 0.824 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.451 1.516 -0.085 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.979 2.703 -2.491 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.522 1.207 -1.643 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.331 2.514 -1.847 1.00 10.00 H new ATOM 1317 N GLU B 36 22.021 3.612 2.559 1.00 10.00 N ATOM 1318 CA GLU B 36 22.735 3.780 3.856 1.00 10.00 C ATOM 1319 C GLU B 36 22.002 3.028 4.970 1.00 10.00 C ATOM 1320 O GLU B 36 22.606 2.337 5.766 1.00 10.00 O ATOM 1321 CB GLU B 36 22.712 5.285 4.127 1.00 10.00 C ATOM 1322 CG GLU B 36 23.287 6.030 2.920 1.00 10.00 C ATOM 1323 CD GLU B 36 24.549 6.784 3.341 1.00 10.00 C ATOM 1324 OE1 GLU B 36 24.458 7.588 4.254 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.585 6.547 2.743 1.00 10.00 O ATOM 0 H GLU B 36 21.794 4.480 2.073 1.00 10.00 H new ATOM 0 HA GLU B 36 23.750 3.384 3.820 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.691 5.615 4.319 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.294 5.513 5.020 1.00 10.00 H new ATOM 0 HG2 GLU B 36 23.521 5.326 2.122 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.549 6.727 2.524 1.00 10.00 H new ATOM 1332 N TYR B 37 20.706 3.160 5.037 1.00 10.00 N ATOM 1333 CA TYR B 37 19.939 2.458 6.105 1.00 10.00 C ATOM 1334 C TYR B 37 20.041 0.939 5.931 1.00 10.00 C ATOM 1335 O TYR B 37 20.672 0.257 6.713 1.00 10.00 O ATOM 1336 CB TYR B 37 18.493 2.918 5.925 1.00 10.00 C ATOM 1337 CG TYR B 37 17.609 2.196 6.913 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.601 2.583 8.259 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.797 1.138 6.485 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.782 1.912 9.177 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.979 0.467 7.402 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.971 0.855 8.748 1.00 10.00 C ATOM 1343 OH TYR B 37 15.163 0.194 9.652 1.00 10.00 O ATOM 0 H TYR B 37 20.145 3.724 4.399 1.00 10.00 H new ATOM 0 HA TYR B 37 20.322 2.688 7.099 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.421 3.995 6.076 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.160 2.716 4.907 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.226 3.399 8.590 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.802 0.840 5.447 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.777 2.210 10.215 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.354 -0.350 7.072 1.00 10.00 H new ATOM 0 HH TYR B 37 14.665 -0.512 9.190 1.00 10.00 H new ATOM 1353 N PHE B 38 19.418 0.405 4.917 1.00 10.00 N ATOM 1354 CA PHE B 38 19.474 -1.068 4.703 1.00 10.00 C ATOM 1355 C PHE B 38 20.928 -1.553 4.677 1.00 10.00 C ATOM 1356 O PHE B 38 21.279 -2.516 5.330 1.00 10.00 O ATOM 1357 CB PHE B 38 18.799 -1.301 3.352 1.00 10.00 C ATOM 1358 CG PHE B 38 17.306 -1.127 3.497 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.624 -1.779 4.531 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.603 -0.316 2.598 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.239 -1.620 4.667 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.219 -0.157 2.733 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.536 -0.809 3.768 1.00 10.00 C ATOM 0 H PHE B 38 18.873 0.924 4.228 1.00 10.00 H new ATOM 0 HA PHE B 38 18.978 -1.617 5.503 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.187 -0.599 2.614 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.025 -2.303 2.989 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.166 -2.405 5.224 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.129 0.187 1.800 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.713 -2.123 5.465 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.677 0.469 2.039 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.468 -0.686 3.872 1.00 10.00 H new ATOM 1373 N THR B 39 21.780 -0.899 3.931 1.00 10.00 N ATOM 1374 CA THR B 39 23.207 -1.338 3.881 1.00 10.00 C ATOM 1375 C THR B 39 23.754 -1.489 5.303 1.00 10.00 C ATOM 1376 O THR B 39 24.361 -2.486 5.643 1.00 10.00 O ATOM 1377 CB THR B 39 23.952 -0.227 3.138 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.519 -0.189 1.785 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.456 -0.497 3.187 1.00 10.00 C ATOM 0 H THR B 39 21.552 -0.086 3.358 1.00 10.00 H new ATOM 0 HA THR B 39 23.323 -2.301 3.383 1.00 10.00 H new ATOM 0 HB THR B 39 23.742 0.731 3.613 1.00 10.00 H new ATOM 0 HG1 THR B 39 22.680 0.314 1.724 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.985 0.295 2.657 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.787 -0.524 4.225 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.669 -1.455 2.713 1.00 10.00 H new ATOM 1387 N ARG B 40 23.542 -0.506 6.135 1.00 10.00 N ATOM 1388 CA ARG B 40 24.046 -0.592 7.536 1.00 10.00 C ATOM 1389 C ARG B 40 23.335 -1.725 8.280 1.00 10.00 C ATOM 1390 O ARG B 40 23.839 -2.259 9.248 1.00 10.00 O ATOM 1391 CB ARG B 40 23.703 0.759 8.163 1.00 10.00 C ATOM 1392 CG ARG B 40 24.845 1.203 9.080 1.00 10.00 C ATOM 1393 CD ARG B 40 25.318 2.598 8.668 1.00 10.00 C ATOM 1394 NE ARG B 40 26.801 2.493 8.592 1.00 10.00 N ATOM 1395 CZ ARG B 40 27.422 2.807 7.488 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.915 3.701 6.683 1.00 10.00 N ATOM 1397 NH2 ARG B 40 28.552 2.227 7.189 1.00 10.00 N ATOM 0 H ARG B 40 23.042 0.353 5.906 1.00 10.00 H new ATOM 0 HA ARG B 40 25.115 -0.802 7.581 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.539 1.502 7.383 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.776 0.683 8.731 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.510 1.213 10.117 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.671 0.495 9.019 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.893 2.892 7.708 1.00 10.00 H new ATOM 0 HD3 ARG B 40 25.012 3.350 9.396 1.00 10.00 H new ATOM 0 HE ARG B 40 27.332 2.176 9.403 1.00 10.00 H new ATOM 0 HH11 ARG B 40 26.032 4.155 6.917 1.00 10.00 H new ATOM 0 HH12 ARG B 40 27.402 3.945 5.821 1.00 10.00 H new ATOM 0 HH21 ARG B 40 28.949 1.529 7.818 1.00 10.00 H new ATOM 0 HH22 ARG B 40 29.038 2.472 6.326 1.00 10.00 H new ATOM 1411 N LEU B 41 22.165 -2.093 7.834 1.00 10.00 N ATOM 1412 CA LEU B 41 21.419 -3.191 8.514 1.00 10.00 C ATOM 1413 C LEU B 41 22.075 -4.541 8.216 1.00 10.00 C ATOM 1414 O LEU B 41 21.997 -5.465 9.000 1.00 10.00 O ATOM 1415 CB LEU B 41 20.011 -3.139 7.923 1.00 10.00 C ATOM 1416 CG LEU B 41 18.988 -3.448 9.016 1.00 10.00 C ATOM 1417 CD1 LEU B 41 19.146 -2.444 10.161 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.575 -3.342 8.438 1.00 10.00 C ATOM 0 H LEU B 41 21.693 -1.681 7.029 1.00 10.00 H new ATOM 0 HA LEU B 41 21.411 -3.074 9.598 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.819 -2.153 7.499 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.919 -3.859 7.110 1.00 10.00 H new ATOM 0 HG LEU B 41 19.152 -4.458 9.392 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.417 -2.664 10.941 1.00 10.00 H new ATOM 0 HD12 LEU B 41 20.152 -2.518 10.574 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.982 -1.434 9.785 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.846 -3.562 9.217 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.410 -2.332 8.062 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.461 -4.056 7.622 1.00 10.00 H new ATOM 1430 N ARG B 42 22.723 -4.662 7.090 1.00 10.00 N ATOM 1431 CA ARG B 42 23.383 -5.955 6.750 1.00 10.00 C ATOM 1432 C ARG B 42 24.559 -6.210 7.697 1.00 10.00 C ATOM 1433 O ARG B 42 24.996 -7.330 7.872 1.00 10.00 O ATOM 1434 CB ARG B 42 23.876 -5.784 5.312 1.00 10.00 C ATOM 1435 CG ARG B 42 22.911 -6.490 4.356 1.00 10.00 C ATOM 1436 CD ARG B 42 23.419 -7.904 4.059 1.00 10.00 C ATOM 1437 NE ARG B 42 23.938 -8.413 5.359 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.037 -9.117 5.401 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.933 -8.997 4.459 1.00 10.00 N ATOM 1440 NH2 ARG B 42 25.245 -9.940 6.391 1.00 10.00 N ATOM 0 H ARG B 42 22.824 -3.925 6.393 1.00 10.00 H new ATOM 0 HA ARG B 42 22.706 -6.804 6.848 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.943 -4.725 5.062 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.878 -6.200 5.208 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.916 -6.536 4.798 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.822 -5.923 3.429 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.618 -8.538 3.679 1.00 10.00 H new ATOM 0 HD3 ARG B 42 24.202 -7.890 3.301 1.00 10.00 H new ATOM 0 HE ARG B 42 23.432 -8.211 6.221 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.776 -8.351 3.685 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.790 -9.549 4.497 1.00 10.00 H new ATOM 0 HH21 ARG B 42 24.550 -10.033 7.131 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.103 -10.490 6.425 1.00 10.00 H new ATOM 1454 N GLU B 43 25.074 -5.178 8.309 1.00 10.00 N ATOM 1455 CA GLU B 43 26.221 -5.359 9.243 1.00 10.00 C ATOM 1456 C GLU B 43 25.723 -5.845 10.608 1.00 10.00 C ATOM 1457 O GLU B 43 26.485 -6.336 11.418 1.00 10.00 O ATOM 1458 CB GLU B 43 26.852 -3.971 9.365 1.00 10.00 C ATOM 1459 CG GLU B 43 28.258 -3.995 8.761 1.00 10.00 C ATOM 1460 CD GLU B 43 28.535 -2.664 8.057 1.00 10.00 C ATOM 1461 OE1 GLU B 43 27.973 -1.666 8.477 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.305 -2.667 7.111 1.00 10.00 O ATOM 0 H GLU B 43 24.749 -4.217 8.202 1.00 10.00 H new ATOM 0 HA GLU B 43 26.933 -6.102 8.884 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.236 -3.233 8.851 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.899 -3.672 10.412 1.00 10.00 H new ATOM 0 HG2 GLU B 43 28.998 -4.166 9.543 1.00 10.00 H new ATOM 0 HG3 GLU B 43 28.347 -4.819 8.053 1.00 10.00 H new ATOM 1469 N ALA B 44 24.450 -5.714 10.869 1.00 10.00 N ATOM 1470 CA ALA B 44 23.909 -6.171 12.183 1.00 10.00 C ATOM 1471 C ALA B 44 24.524 -7.506 12.574 1.00 10.00 C ATOM 1472 O ALA B 44 25.264 -7.611 13.531 1.00 10.00 O ATOM 1473 CB ALA B 44 22.415 -6.377 11.959 1.00 10.00 C ATOM 0 H ALA B 44 23.763 -5.312 10.232 1.00 10.00 H new ATOM 0 HA ALA B 44 24.127 -5.449 12.970 1.00 10.00 H new ATOM 0 HB1 ALA B 44 21.951 -6.714 12.886 1.00 10.00 H new ATOM 0 HB2 ALA B 44 21.961 -5.437 11.647 1.00 10.00 H new ATOM 0 HB3 ALA B 44 22.263 -7.128 11.184 1.00 10.00 H new ATOM 1479 N ARG B 45 24.190 -8.531 11.846 1.00 10.00 N ATOM 1480 CA ARG B 45 24.717 -9.879 12.169 1.00 10.00 C ATOM 1481 C ARG B 45 26.187 -9.795 12.593 1.00 10.00 C ATOM 1482 O ARG B 45 26.849 -8.799 12.379 1.00 10.00 O ATOM 1483 CB ARG B 45 24.574 -10.683 10.876 1.00 10.00 C ATOM 1484 CG ARG B 45 23.100 -10.741 10.470 1.00 10.00 C ATOM 1485 CD ARG B 45 22.608 -12.187 10.539 1.00 10.00 C ATOM 1486 NE ARG B 45 22.513 -12.630 9.119 1.00 10.00 N ATOM 1487 CZ ARG B 45 21.540 -13.414 8.745 1.00 10.00 C ATOM 1488 NH1 ARG B 45 20.301 -13.038 8.908 1.00 10.00 N ATOM 1489 NH2 ARG B 45 21.805 -14.574 8.209 1.00 10.00 N ATOM 0 H ARG B 45 23.571 -8.491 11.036 1.00 10.00 H new ATOM 0 HA ARG B 45 24.179 -10.340 12.997 1.00 10.00 H new ATOM 0 HB2 ARG B 45 25.163 -10.223 10.082 1.00 10.00 H new ATOM 0 HB3 ARG B 45 24.963 -11.691 11.018 1.00 10.00 H new ATOM 0 HG2 ARG B 45 22.505 -10.111 11.131 1.00 10.00 H new ATOM 0 HG3 ARG B 45 22.974 -10.351 9.460 1.00 10.00 H new ATOM 0 HD2 ARG B 45 23.300 -12.813 11.102 1.00 10.00 H new ATOM 0 HD3 ARG B 45 21.641 -12.252 11.038 1.00 10.00 H new ATOM 0 HE ARG B 45 23.208 -12.320 8.440 1.00 10.00 H new ATOM 0 HH11 ARG B 45 20.094 -12.132 9.328 1.00 10.00 H new ATOM 0 HH12 ARG B 45 19.540 -13.650 8.616 1.00 10.00 H new ATOM 0 HH21 ARG B 45 22.773 -14.868 8.082 1.00 10.00 H new ATOM 0 HH22 ARG B 45 21.044 -15.187 7.917 1.00 10.00 H new ATOM 1503 N ARG B 46 26.700 -10.836 13.190 1.00 10.00 N ATOM 1504 CA ARG B 46 28.126 -10.820 13.628 1.00 10.00 C ATOM 1505 C ARG B 46 29.000 -10.130 12.576 1.00 10.00 C ATOM 1506 O ARG B 46 29.834 -9.327 12.960 1.00 10.00 O ATOM 1507 CB ARG B 46 28.513 -12.292 13.764 1.00 10.00 C ATOM 1508 CG ARG B 46 30.021 -12.407 14.002 1.00 10.00 C ATOM 1509 CD ARG B 46 30.601 -13.492 13.092 1.00 10.00 C ATOM 1510 NE ARG B 46 31.888 -12.928 12.594 1.00 10.00 N ATOM 1511 CZ ARG B 46 32.977 -13.049 13.305 1.00 10.00 C ATOM 1512 NH1 ARG B 46 32.931 -13.598 14.488 1.00 10.00 N ATOM 1513 NH2 ARG B 46 34.114 -12.618 12.832 1.00 10.00 N ATOM 1514 OXT ARG B 46 28.820 -10.419 11.405 1.00 10.00 O ATOM 0 H ARG B 46 26.194 -11.698 13.394 1.00 10.00 H new ATOM 0 HA ARG B 46 28.264 -10.272 14.560 1.00 10.00 H new ATOM 0 HB2 ARG B 46 27.968 -12.747 14.592 1.00 10.00 H new ATOM 0 HB3 ARG B 46 28.235 -12.836 12.862 1.00 10.00 H new ATOM 0 HG2 ARG B 46 30.505 -11.452 13.801 1.00 10.00 H new ATOM 0 HG3 ARG B 46 30.217 -12.650 15.046 1.00 10.00 H new ATOM 0 HD2 ARG B 46 30.762 -14.421 13.638 1.00 10.00 H new ATOM 0 HD3 ARG B 46 29.925 -13.720 12.268 1.00 10.00 H new ATOM 0 HE ARG B 46 31.918 -12.446 11.695 1.00 10.00 H new ATOM 0 HH11 ARG B 46 32.043 -13.934 14.860 1.00 10.00 H new ATOM 0 HH12 ARG B 46 33.783 -13.691 15.041 1.00 10.00 H new ATOM 0 HH21 ARG B 46 34.152 -12.187 11.908 1.00 10.00 H new ATOM 0 HH22 ARG B 46 34.965 -12.712 13.386 1.00 10.00 H new TER 1528 ARG B 46